LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Lu", "Pt", "Rh" ]

4

A2BC

LuPt2Rh

Lu1 Pt2 Rh1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.236328933, 3.236328933 ], [ 3.236328933, 0, 3.236328933 ], [ 3.236328933, 3.236328933, 0 ] ]

oqmd-5612440

[ [ 3.2363299999999984, 3.2363299999999984, 3.2363299999999984 ], [ 0, 0, 0 ], [ 1.6181599999999985, 1.6181599999999985, 1.6181599999999985 ], [ 4.854490000000003, 4.854490000000003, 4.854490000000003 ] ]

[{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Lu", "Pt", "Pt", "Rh" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 24.38808884, 0, 0 ], [ 0, 24.38808884, 0 ], [ 0, 0, 24.38808884 ] ]

-26.5353

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.005281

null

pbe

false

bf43edae4dd6ace8c3a520b619a214c0_216_Lu1Pt2Rh1

[ "Mo", "Pa", "Ta" ]

3

ABC

MoPaTa

Mo1 Pa1 Ta1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.237067, 3.237067 ], [ 3.237067, 0, 3.237067 ], [ 3.237067, 3.237067, 0 ] ]

oqmd-3777418

[ [ 0, 0, 0 ], [ 1.6185299999999996, 1.6185299999999996, 1.6185299999999996 ], [ 4.855599999999996, 4.855599999999996, 4.855599999999996 ] ]

[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]

[ "Mo", "Pa", "Ta" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 6.77275, 0, 0 ], [ 0, 6.77275, 0 ], [ 0, 0, 6.77275 ] ]

-30.7062

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.00203

null

pbe

true

252a31d79b3317636a001f83962fe7b3_216_Pa1Ta1Mo1

[ "Ni", "Re", "Sr" ]

4

A2BC

NiRe2Sr

Ni1 Re2 Sr1

3

[ 1, 1, 1 ]

3

[ [ 2.279644, 1.316153, 3.722644 ], [ -2.279644, 1.316153, 3.722644 ], [ 0, -2.632307, 3.722644 ] ]

oqmd-4536795

[ [ -3.2738641362419946e-17, 1.227758295890639e-15, 2.7919800000000015 ], [ 0, 0, 0 ], [ 3.2593079670141353e-17, -2.030198569594536e-15, 8.375949999999998 ], [ 8.675203100277189e-17, 1.7767757375634777e-15, 5.58397 ] ]

[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Ni", "Re", "Re", "Sr" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 18.2649, 0, 0 ], [ 0, 18.26491, 0 ], [ 0, 0, 18.26491 ] ]

-28.4745

[ 0, 0.002, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.003643

null

pbe

true

87b8f91184c211786f0a9e04f8b2752f_216_Sr1Re2Ni1

[ "Al", "Na", "Pt", "Si" ]

8

A4B2CD

AlNa4Pt2Si

Al1 Na4 Pt2 Si1

4

[ 1, 1, 1 ]

3

[ [ 4.603422168, 0, 0 ], [ 0, 4.603422168, 0 ], [ 0, 0, 6.510770554 ] ]

oqmd-9777790

[ [ 0, 0, 0 ], [ 2.30171, 2.30171, 0 ], [ 0, 2.30171, 1.64555 ], [ 0, 0, 3.2553899999999993 ], [ 2.30171, 0, 4.86522 ], [ 2.30171, 0, 1.67925 ], [ 0, 2.30171, 4.831519999999999 ], [ 2.30171, 2.30171, 3.2553899999999993 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Al", "Na", "Na", "Na", "Na", "Pt", "Pt", "Si" ]

2024-11-01 00:00:00

[ 0.125, 0.5, 0.25, 0.125 ]

[ [ 17.43223638, 0, 0 ], [ 0, 17.43223638, 0 ], [ 0, 0, 17.08400107 ] ]

-27.5592

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.041086 ], [ 0, 0, 0 ], [ 0, 0, -0.041086 ], [ 0, 0, -0.010111 ], [ 0, 0, 0.010111 ], [ 0, 0, 0 ] ]

0.00471

null

pbe

true

78ff210fe3b79e123c1f5479b2a3e16a_115_Na4Al1Si1Pt2

[ "As", "Eu", "O", "Sb", "Sr" ]

7

A2B2CDE

AsEu2OSbSr2

As1 Eu2 O1 Sb1 Sr2

5

[ 1, 1, 1 ]

3

[ [ -2.393654792, 2.393654792, 8.424354212 ], [ 2.393654792, -2.393654792, 8.424354212 ], [ 2.393654792, 2.393654792, -8.424354212 ] ]

oqmd-6719980

[ [ -8.853186149014753e-17, 8.853186149014753e-17, 10.63973 ], [ 1.899798405800594e-17, 2.39365, 0.06554000000000038 ], [ 2.39365, 1.899798405800594e-17, 0.06554000000000038 ], [ -1.3391204130158857e-18, 1.3391204130158857e-18, 0.22227 ], [ -4.912072152367677e-17, 4.912072152367677e-17, 6.113200000000001 ], [ -6.9125590531242704e-18, 6.9125590531242704e-18, 2.77526 ], [ 2.787048812256652e-17, -2.787048812256652e-17, 13.81587 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "As", "Eu", "Eu", "O", "Sb", "Sr", "Sr" ]

2024-11-01 00:00:00

[ 0.14285714285714285, 0.2857142857142857, 0.14285714285714285, 0.14285714285714285, 0.2857142857142857 ]

[ [ 7.196749, 0, 0 ], [ 0, 7.196749, 0 ], [ 0, 0, 10.58764873 ] ]

-33.2491

[ 0, -0.001, -0.001, 0, 0, 0, 0 ]

[ [ 0, 0, -0.003538 ], [ 0, 0, 0.021356 ], [ 0, 0, 0.021356 ], [ 0, 0, 0.022438 ], [ 0, 0, -0.011219 ], [ 0, 0, 0.008149 ], [ 0, 0, -0.058542 ] ]

0.010236

null

pbe

false

875e3c2a666aabceca17c62f8c445e84_107_Sr2Eu2Sb1As1O1

[ "H", "K", "O", "Sb", "Te" ]

66

A4B2C2D2E

H2KO4Sb2Te2

H2 K1 O4 Sb2 Te2

5

[ 1, 1, 1 ]

3

[ [ 13.393646037, 7.732825145, 1.943541064 ], [ -13.393646037, 7.732825145, 1.943541064 ], [ 0, -15.46565029, 1.943541064 ] ]

oqmd-9908988

[ [ -12.409, 7.654190000000001, 1.96354 ], [ 0.42422999999999855, 14.573600000000004, 3.86708 ], [ 12.83322, 6.91941, 1.9635400000000005 ], [ -0.9250399999999992, 3.26438, 1.79046 ], [ 3.2895500000000006, -0.8310899999999988, 1.79046 ], [ -2.36452, -2.43329, 1.79046 ], [ 2.3645199999999993, 2.4332899999999995, 4.04016 ], [ -3.2895499999999993, 0.8310899999999999, 4.04016 ], [ 0.9250399999999996, -3.264380000000001, 4.04016 ], [ -12.833220000000004, -6.919410000000001, 3.86708 ], [ -0.42423000000000055, -14.573600000000004, 1.9635400000000005 ], [ 12.409, -7.65419, 3.86708 ], [ 2.48613, 2.5185500000000003, 1.33325 ], [ -3.4242000000000004, 0.8937800000000004, 1.33325 ], [ 0.93806, -3.412329999999999, 1.3332499999999998 ], [ -0.9380600000000008, 3.4123300000000003, 4.497370000000001 ], [ 3.4242000000000004, -0.8937799999999997, 4.49737 ], [ -2.4861300000000006, -2.5185499999999994, 4.497370000000001 ], [ 8.82993, 6.45408, 2.01614 ], [ -1.159620000000001, 4.1790400000000005, 1.4696300000000002 ], [ -10.00436, 4.419909999999999, 2.01614 ], [ -1.1744300000000012, 10.87399, 3.81448 ], [ 4.19896, -1.08526, 1.46963 ], [ 1.1276300000000004, 4.603539999999999, 3.0312 ], [ -3.42297, 3.2783300000000004, 2.7994199999999996 ], [ -3.03935, -3.09378, 1.46963 ], [ -0.4072199999999995, 1.5155599999999998, 2.65628 ], [ 4.550599999999999, 1.3252099999999996, 2.79942 ], [ 1.5161200000000004, -0.40511999999999926, 2.65628 ], [ 1.1089100000000007, 1.11044, 3.1743400000000004 ], [ -1.10891, -1.11044, 2.65628 ], [ -1.5161199999999997, 0.4051200000000003, 3.17434 ], [ -4.550599999999999, -1.3252100000000004, 3.0312 ], [ 0.4072200000000003, -1.5155599999999998, 3.1743400000000004 ], [ 3.0393500000000007, 3.0937800000000006, 4.36099 ], [ 3.4229700000000003, -3.2783300000000004, 3.0312 ], [ -1.1276300000000008, -4.60354, 2.7994199999999996 ], [ -4.198960000000001, 1.08526, 4.36099 ], [ 1.1744300000000003, -10.87399, 2.0161399999999996 ], [ 10.004360000000004, -4.419909999999998, 3.81448 ], [ 1.159619999999999, -4.179040000000001, 4.36099 ], [ -8.829929999999997, -6.45408, 3.814479999999999 ], [ 0.4488200000000005, 5.78451, 1.53677 ], [ -3.28054, 4.70938, 1.38495 ], [ 5.71871, 0.4863400000000003, 1.38495 ], [ -5.233949999999998, -2.50356, 1.5367699999999995 ], [ 4.78512, -3.28095, 1.53677 ], [ -2.4381800000000005, -5.19572, 1.38495 ], [ 2.4381800000000027, 5.19572, 4.44567 ], [ -4.785120000000001, 3.28095, 4.29385 ], [ 5.233949999999998, 2.5035599999999985, 4.29385 ], [ -5.7187100000000015, -0.4863399999999989, 4.44567 ], [ 3.2805399999999993, -4.709380000000001, 4.44567 ], [ -0.4488200000000008, -5.784509999999999, 4.29385 ], [ -5.6239, 10.66315, 2.89472 ], [ 6.422609999999998, 10.20201, 2.9359000000000006 ], [ -3.1194500000000005, 8.1924, 2.4739500000000003 ], [ 5.535099999999999, 6.797720000000001, 3.3566700000000003 ], [ -12.04651, 0.4611399999999997, 2.9359000000000006 ], [ 8.654549999999999, -1.3946800000000013, 2.47395 ], [ -8.654550000000002, 1.3946799999999997, 3.3566700000000007 ], [ 12.04651, -0.4611400000000004, 2.89472 ], [ -5.535099999999999, -6.79772, 2.47395 ], [ 3.1194499999999996, -8.192400000000001, 3.35667 ], [ -6.42261, -10.20201, 2.89472 ], [ 5.623899999999999, -10.663150000000003, 2.9359 ] ]

[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "K", "K", "K", "K", "K", "K", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.18181818181818185, 0.09090909090909093, 0.3636363636363637, 0.18181818181818185, 0.18181818181818185 ]

[ [ 19.50939905, 8e-8, 0 ], [ 8e-8, 19.50939905, 0 ], [ 0, 0, 22.95499055 ] ]

-298.608

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.026746, 0.005523, -0.003098 ], [ -0.00859, 0.025924, 0.003098 ], [ 0.018156, 0.020401, -0.003098 ], [ -0.022445, 0.063146, -0.014586 ], [ 0.065908, -0.012135, -0.014586 ], [ -0.043463, -0.051011, -0.014586 ], [ 0.043463, 0.051011, 0.014586 ], [ -0.065908, 0.012135, 0.014586 ], [ 0.022445, -0.063146, 0.014586 ], [ -0.018156, -0.020401, 0.003098 ], [ 0.00859, -0.025924, -0.003098 ], [ 0.026746, -0.005523, 0.003098 ], [ 0.000399, -0.003441, -0.006799 ], [ 0.00278, 0.002066, -0.006799 ], [ -0.003179, 0.001375, -0.006799 ], [ 0.003179, -0.001375, 0.006799 ], [ -0.00278, -0.002066, 0.006799 ], [ -0.000399, 0.003441, 0.006799 ], [ 0.034138, -0.003189, 0.015028 ], [ 0.032717, -0.073555, 0.020629 ], [ -0.014307, 0.031159, 0.015028 ], [ 0.019831, 0.02797, -0.015028 ], [ -0.080059, 0.008444, 0.020629 ], [ -0.026938, 0.000162, -0.020904 ], [ -0.013609, -0.023247, 0.020904 ], [ 0.047342, 0.065111, 0.020629 ], [ -0.025455, 0.027508, -0.023253 ], [ -0.013328, 0.02341, 0.020904 ], [ 0.03655, 0.008291, -0.023253 ], [ 0.011095, 0.035799, 0.023253 ], [ -0.011095, -0.035799, -0.023253 ], [ -0.03655, -0.008291, 0.023253 ], [ 0.013328, -0.02341, -0.020904 ], [ 0.025455, -0.027508, 0.023253 ], [ -0.047342, -0.065111, -0.020629 ], [ 0.013609, 0.023247, -0.020904 ], [ 0.026938, -0.000162, 0.020904 ], [ 0.080059, -0.008444, -0.020629 ], [ -0.019831, -0.02797, 0.015028 ], [ 0.014307, -0.031159, -0.015028 ], [ -0.032717, 0.073555, -0.020629 ], [ -0.034138, 0.003189, -0.015028 ], [ -0.010686, -0.002978, 0.010585 ], [ 0.017281, 0.045596, 0.000654 ], [ 0.030847, -0.037763, 0.000654 ], [ 0.007922, -0.007766, 0.010585 ], [ 0.002764, 0.010744, 0.010585 ], [ -0.048128, -0.007832, 0.000654 ], [ 0.048128, 0.007832, -0.000654 ], [ -0.002764, -0.010744, -0.010585 ], [ -0.007922, 0.007766, -0.010585 ], [ -0.030847, 0.037763, -0.000654 ], [ -0.017281, -0.045596, -0.000654 ], [ 0.010686, 0.002978, -0.010585 ], [ 0.01794, -0.002926, 0.00898 ], [ 0.006436, -0.016999, -0.00898 ], [ -0.010478, 0.007923, 0.001872 ], [ 0.001623, 0.013036, -0.001872 ], [ 0.011504, 0.014073, -0.00898 ], [ 0.012101, 0.005112, 0.001872 ], [ -0.012101, -0.005112, -0.001872 ], [ -0.011504, -0.014073, 0.00898 ], [ -0.001623, -0.013036, 0.001872 ], [ 0.010478, -0.007923, -0.001872 ], [ -0.006436, 0.016999, 0.00898 ], [ -0.01794, 0.002926, -0.00898 ] ]

null

pbe

false

a3ca374188798bdb6783d430dbba0390_148_K6Sb12Te12H12O24

[ "Ag", "W" ]

12

A2B

Ag2W

Ag2 W1

2

[ 1, 1, 1 ]

3

[ [ 8.170216177, 0, 0 ], [ 0, 4.662084754, 0 ], [ -1.216918377, 0, 5.331734545 ] ]

oqmd-6328719

[ [ 1.8082, 1.16207, 0.47284 ], [ 7.047089999999999, 1.16229, 1.30563 ], [ 0.5146600000000001, 3.49333, 1.36024 ], [ 5.75355, 3.49311, 2.19303 ], [ 1.1997399999999996, 1.16897, 3.13871 ], [ 6.438629999999999, 1.16875, 3.9715 ], [ -0.09380000000000016, 3.49979, 4.0261 ], [ 5.1451, 3.50001, 4.8589 ], [ 3.4700999999999995, 3.49556, 0.33972 ], [ 4.09166, 1.1645200000000002, 2.32615 ], [ 2.8616399999999995, 3.49756, 3.00559 ], [ 3.483199999999999, 1.16652, 4.99202 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "W", "W", "W", "W" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 32.34447523, 0, 0.06085616 ], [ 0, 17.05808807, 0 ], [ 0.06085616, 0, 22.13003729 ] ]

-69.1711

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.031879, 0.010068, -0.017531 ], [ -0.007299, 0.002273, -0.024083 ], [ 0.007299, 0.002273, 0.024083 ], [ 0.031879, 0.010068, 0.017531 ], [ -0.031879, -0.010068, -0.017531 ], [ -0.007299, -0.002273, -0.024083 ], [ 0.007299, -0.002273, 0.024083 ], [ 0.031879, -0.010068, 0.017531 ], [ 0.023831, -0.001094, 0.046094 ], [ -0.023831, -0.001094, -0.046094 ], [ 0.023831, 0.001094, 0.046094 ], [ -0.023831, 0.001094, -0.046094 ] ]

0.001277

null

pbe

true

9cfe2c2b7d2907afc1dba3f764db605c_11_Ag8W4

[ "O", "Th", "W" ]

14

A4B2C

O4ThW2

O4 Th1 W2

3

[ 1, 1, 1 ]

3

[ [ 4.590438, -4.592324, 0 ], [ -4.590438, 0, -4.592324 ], [ 4.590438, 4.592324, 0 ] ]

oqmd-1939110

[ [ -0.955340000000004, 0.9549800000000004, -3.637340000000002 ], [ 3.635099999999995, -0.9549800000000008, -0.9549800000000004 ], [ 0.9553399999999952, -0.9549800000000004, -3.637340000000002 ], [ 1.339879999999996, 1.3411800000000005, -1.3411800000000005 ], [ 5.545780000000003, 0.9549800000000002, -0.9549800000000004 ], [ 1.339879999999996, 3.2511500000000004, -3.2511500000000004 ], [ 3.2505600000000037, 3.2511500000000004, -1.3411800000000005 ], [ 3.2505600000000037, 1.3411800000000005, -3.2511500000000004 ], [ 0, 0, 0 ], [ 2.29522, -2.296160000000001, -2.296160000000001 ], [ -1.14761, -1.1480800000000029, -3.4442399999999993 ], [ 1.1476099999999998, 1.1480800000000029, -3.4442399999999993 ], [ 3.44283, 1.148079999999998, -1.1480799999999982 ], [ 5.738050000000004, -1.1480800000000029, -1.1480799999999982 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "O", "O", "O", "O", "O", "O", "O", "O", "Th", "Th", "W", "W", "W", "W" ]

2024-11-01 00:00:00

[ 0.5714285714285714, 0.14285714285714285, 0.2857142857142857 ]

[ [ 4.77263, 0, 0 ], [ 0, 4.73307, 0 ], [ 0, 0, 4.73307 ] ]

-123.225

[ -0.003, -0.003, -0.003, -0.003, -0.003, -0.003, -0.003, -0.003, -0.028, -0.028, -0.001, -0.001, 0.004, 0.004 ]

[ [ -0.017547, 0.016423, 0.016423 ], [ -0.017547, -0.016423, -0.016423 ], [ 0.017547, -0.016423, 0.016423 ], [ -0.017547, -0.016423, 0.016423 ], [ 0.017547, 0.016423, -0.016423 ], [ -0.017547, 0.016423, -0.016423 ], [ 0.017547, 0.016423, 0.016423 ], [ 0.017547, -0.016423, -0.016423 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.081904

null

pbe

false

20cbb1df530aa1811d80616690a13327_227_Th2W4O8

[ "As", "Li", "O" ]

8

A2BC

As2LiO

As2 Li1 O1

3

[ 1, 1, 1 ]

3

[ [ 3.720876249, -3.561706824, 0 ], [ 3.720876249, 3.561706824, 0 ], [ -1.641185167, 0, 5.747990682 ] ]

oqmd-7086166

[ [ 3.59434, -1.4891399999999997, 0.31439000000000006 ], [ 3.59434, 1.4891399999999997, 0.31439000000000006 ], [ 3.1632299999999995, -1.6673478153946144e-16, 4.393440000000001 ], [ 5.638380000000001, 7.85259397275839e-18, 4.662840000000001 ], [ 1.57862, 9.507388614326067e-17, 2.04309 ], [ 5.36106, 1.3640913429238224e-16, 2.12476 ], [ 4.67765, -1.74958, 1.69554 ], [ 4.67765, 1.74958, 1.69554 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "As", "As", "As", "As", "Li", "Li", "O", "O" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 13.182526, 0, -6.57031205 ], [ 0, 13.73922309, 0 ], [ -6.57031205, 0, 25.17203851 ] ]

-38.5762

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.008244, 0.02922, -0.006122 ], [ -0.008244, -0.02922, -0.006122 ], [ 0.058779, 0, 0.004704 ], [ 0.026333, 0, -0.042773 ], [ -0.072235, 0, -0.011351 ], [ -0.032541, 0, 0.029953 ], [ 0.018076, -0.016901, 0.015855 ], [ 0.018076, 0.016901, 0.015855 ] ]

null

pbe

false

b399d1048b1b4e514038f85c116ba7ea_8_Li2As4O2

[ "Cl", "Cu", "Mo", "O" ]

14

A3B2CD

Cl2CuMoO3

Cl2 Cu1 Mo1 O3

4

[ 1, 1, 1 ]

3

[ [ 3.755110923, 0, 0 ], [ 0, 11.083221804, 0 ], [ -1.47094765, 0, 5.607773331 ] ]

oqmd-5601964

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Cl", "Cl", "Cl", "Cl", "Cu", "Cu", "Mo", "Mo", "O", "O", "O", "O", "O", "O" ]

2024-11-01 00:00:00

[ 0.2857142857142857, 0.14285714285714285, 0.14285714285714285, 0.42857142857142855 ]

[ [ 24.06984539, 0, -0.13273566 ], [ 0, 30.05646306, 0 ], [ -0.13273566, 0, 29.06992209 ] ]

-80.5517

[ 0.09, 0.09, 0.09, 0.09, 0.621, 0.62, 0.039, 0.039, 0.054, 0.054, 0.014, 0.014, 0.054, 0.054 ]

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2.00376

null

pbe

false

d90778173fbdda2a2f9c50b12c1f3b12_11_Cu2Mo2Cl4O6

[ "Co", "Rh", "Zr" ]

8

A2BC

CoRhZr2

Co1 Rh1 Zr2

3

[ 1, 1, 1 ]

3

[ [ 5.258559863, 0, 0 ], [ 0, 4.354489723, 0 ], [ -0.234153579, 0, 6.097210436 ] ]

oqmd-6872972

[ [ 3.47354, 3.2658699999999996, 0.27432999999999996 ], [ 1.55087, 1.08862, 5.822879999999999 ], [ 0.77726, 1.08862, 2.76691 ], [ 4.24714, 3.2658699999999996, 3.3303 ], [ 0.7223599999999999, 3.2658699999999996, 1.01043 ], [ 3.27566, 1.08862, 1.89439 ], [ 1.74874, 3.2658699999999996, 4.20282 ], [ 4.30205, 1.08862, 5.086779999999999 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]

[ "Co", "Co", "Rh", "Rh", "Zr", "Zr", "Zr", "Zr" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ -0.0157435, 0, 2.11562952 ], [ 0, 0.71358035, 0 ], [ 2.11562952, 0, 1.70106964 ] ]

-67.3909

[ -0.002, -0.002, 0, 0, 0.001, 0, 0.001, 0.001 ]

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-0.001532

null

pbe

false

06c8d10052ccb330abb845165bdb19d2_11_Zr4Co2Rh2

[ "Cu", "Dy", "Se" ]

16

A2BC

CuDySe2

Cu1 Dy1 Se2

3

[ 1, 1, 1 ]

3

[ [ 6.60285811, 0, 0 ], [ 0, 7.321005855, 0 ], [ -0.763914201, 0, 7.030955063 ] ]

oqmd-8928761

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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Cu", "Cu", "Cu", "Cu", "Dy", "Dy", "Dy", "Dy", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 4.43315194, 0, 0.40766398 ], [ 0, 2.99080635, 0 ], [ 0.40766398, 0, 3.81481088 ] ]

-80.6501

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.003133, 0.010312, -0.023701 ], [ -0.003133, 0.010312, 0.023701 ], [ 0.003133, -0.010312, -0.023701 ], [ -0.003133, -0.010312, 0.023701 ], [ 0.001705, -0.019328, 0.005136 ], [ -0.001705, -0.019328, -0.005136 ], [ 0.001705, 0.019328, 0.005136 ], [ -0.001705, 0.019328, -0.005136 ], [ 0.002705, -0.006408, -0.003659 ], [ -0.001619, -0.001826, 0.007981 ], [ 0.001619, -0.001826, -0.007981 ], [ -0.002705, -0.006408, 0.003659 ], [ 0.002705, 0.006408, -0.003659 ], [ -0.001619, 0.001826, 0.007981 ], [ 0.001619, 0.001826, -0.007981 ], [ -0.002705, 0.006408, 0.003659 ] ]

0.002592

null

pbe

true

938a81b99e860fc960e471c52d6ff13d_14_Dy4Cu4Se8

[ "Al", "F", "Pb" ]

54

A19B5C3

Al3F19Pb5

Al6 F38 Pb10

3

[ 1, 1, 1 ]

3

[ [ 7.11551382, 0.00034045, 2.6108402 ], [ 3.55831924, 10.16112467, 1.30522765 ], [ 0.05851314, -0.00020461, 10.84482792 ] ]

mp-541732

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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Al", "Al", "Al", "Al", "Al", "Al", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2014-03-04 23:59:27

[ 0.1111111111111111, 0.7037037037037037, 0.18518518518518517 ]

[ [ 0.72387345, -0.00981573, 0.09867288 ], [ -0.00981014, 0.4352142, 0.00577196 ], [ 0.09867884, 0.00576991, 0.46876498 ] ]

-288.233433

[]

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null

1.210319

pbe

true

c36ce481117ab70e2342966721833dc3_108_Al6Pb10F38

[ "Cr", "Re" ]

30

A2B

CrRe2

Cr1 Re2

2

[ 1, 1, 1 ]

3

[ [ 6.490917, -6.490917, 0 ], [ 6.490917, 6.490917, 0 ], [ 0, 0, 4.913237 ] ]

oqmd-4433076

[ [ 0, 0, 0 ], [ 5.280960000000003, -4.452630000000002, 0 ], [ 7.700879999999997, -4.45263, 0 ], [ 5.280960000000002, 4.452630000000002, 0 ], [ 7.700879999999998, 4.45263, 0 ], [ 4.45263, -1.2099600000000033, 2.4566199999999996 ], [ 4.45263, 1.2099600000000037, 2.4566199999999996 ], [ 6.490919999999994, 1.443135805388633e-16, 2.4566199999999996 ], [ 8.529210000000003, -1.209960000000003, 2.4566199999999996 ], [ 8.529210000000003, 1.209960000000003, 2.4566199999999996 ], [ 3.899410000000003, -2.155909999999998, 0 ], [ 5.222989999999997, -1.4682641955096116e-16, 0 ], [ 3.899410000000003, 2.1559099999999978, 0 ], [ 9.08242, -2.1559100000000044, 0 ], [ 7.758840000000002, -1.0447227342659946e-16, 0 ], [ 9.08242, 2.155910000000005, 0 ], [ 6.490920000000002, -2.423549999999998, 1.2275700000000007 ], [ 6.490920000000002, 2.4235499999999974, 1.2275700000000007 ], [ 2.4235500000000036, 5.309902952798734e-17, 1.229049999999999 ], [ 10.558279999999996, -2.625122551887878e-16, 1.229049999999999 ], [ 4.334999999999997, -3.899409999999998, 2.4566199999999996 ], [ 6.490920000000002, -5.222990000000002, 2.4566199999999996 ], [ 8.64683, -3.899409999999997, 2.4566199999999996 ], [ 4.334999999999997, 3.899409999999998, 2.4566199999999996 ], [ 6.490920000000002, 5.222990000000002, 2.4566199999999996 ], [ 8.64683, 3.899409999999997, 2.4566199999999996 ], [ 2.4235500000000036, 5.309902952798734e-17, 3.684190000000001 ], [ 10.558279999999996, -2.625122551887878e-16, 3.684190000000001 ], [ 6.490920000000002, -2.423549999999998, 3.6856699999999982 ], [ 6.490920000000002, 2.4235499999999974, 3.6856699999999982 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 18.74517, 0, 0 ], [ 0, 18.74517, 0 ], [ 0, 0, 16.64421 ] ]

-343.297

[ -0.008, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, -0.008, 0.004, 0.004, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.006766, 0.003584, 0 ], [ 0.006766, 0.003584, 0 ], [ -0.006766, -0.003584, 0 ], [ 0.006766, -0.003584, 0 ], [ -0.003584, -0.006766, 0 ], [ -0.003584, 0.006766, 0 ], [ 0, 0, 0 ], [ 0.003584, -0.006766, 0 ], [ 0.003584, 0.006766, 0 ], [ -0.019003, -0.033946, 0 ], [ -0.034173, 0, 0 ], [ -0.019003, 0.033946, 0 ], [ 0.019003, -0.033946, 0 ], [ 0.034173, 0, 0 ], [ 0.019003, 0.033946, 0 ], [ 0, -0.016325, 0.035759 ], [ 0, 0.016325, 0.035759 ], [ 0.016325, 0, -0.035759 ], [ -0.016325, 0, -0.035759 ], [ -0.033946, 0.019003, 0 ], [ 0, 0.034173, 0 ], [ 0.033946, 0.019003, 0 ], [ -0.033946, -0.019003, 0 ], [ 0, -0.034173, 0 ], [ 0.033946, -0.019003, 0 ], [ 0.016325, 0, 0.035759 ], [ -0.016325, 0, 0.035759 ], [ 0, -0.016325, -0.035759 ], [ 0, 0.016325, -0.035759 ] ]

0.012214

null

pbe

false

7e8f58b7e3c64ed45326b9a322ef35ca_136_Cr10Re20

[ "Be", "Pu" ]

4

AB

BePu

Be1 Pu1

2

[ 1, 1, 1 ]

3

[ [ 4.098332419, 0, 0 ], [ -2.049166209, 3.549259988, 0 ], [ 0, 0, 5.771103793 ] ]

oqmd-5372872

[ [ 1.1062344690527037e-15, 2.366169999999999, 1.442779999999998 ], [ 2.0491700000000015, 1.1830899999999989, 4.328330000000003 ], [ 0, 0, 0 ], [ 0, 0, 2.8855499999999985 ] ]

[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Be", "Be", "Pu", "Pu" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 6.82552457, 0, 0 ], [ 0, 6.82552457, 0 ], [ 0, 0, 7.14907676 ] ]

-32.8713

[ 0.083, 0.083, 5.437, 5.456 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

11.7076

null

pbe

true

6dad551145033c9e8ba685624bcfa3d5_194_Pu2Be2

[ "Sb", "Sm", "Y" ]

4

A2BC

Sb2SmY

Sb2 Sm1 Y1

3

[ 1, 1, 1 ]

3

[ [ 4.429965631, 0, 0 ], [ 0, 4.429965631, 0 ], [ 0, 0, 6.265494261 ] ]

oqmd-6335422

[ [ 2.21498, 2.21498, 0 ], [ 0, 0, 3.1327499999999997 ], [ 0, 0, 0 ], [ 2.21498, 2.21498, 3.1327499999999997 ] ]

[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Sb", "Sb", "Sm", "Y" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 1.98211522, 0, 0 ], [ 0, 1.98211522, 0 ], [ 0, 0, 2.04144962 ] ]

-24.0956

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000879

null

pbe

true

e9486c941e15fd7288f7399c3c59b691_123_Sm1Y1Sb2

[ "Si", "Sn", "Y" ]

4

A2BC

SiSnY2

Si1 Sn1 Y2

3

[ 1, 1, 1 ]

3

[ [ 4.055655891, 0, 0 ], [ 0, 2.20905689, 5.514439042 ], [ 0, -2.20905689, 5.514439042 ] ]

oqmd-6419078

[ [ 0, -8.654679147622048e-18, 0.99547 ], [ 2.02783, 2.7682277734973385e-17, 10.12787 ], [ 0, 3.7807544707587495e-17, 3.928360000000001 ], [ 2.02783, -6.7332429393727664e-18, 7.006050000000001 ] ]

[{"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Si", "Sn", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 3.93953203, 0, 0 ], [ 0, 4.55469651, 0 ], [ 0, 0, 3.67060099 ] ]

-25.3492

[ 0, 0, -0.001, 0 ]

[ [ 0, 0, -0.013027 ], [ 0, 0, -0.00317 ], [ 0, 0, -0.021015 ], [ 0, 0, 0.037212 ] ]

-0.005093

null

pbe

false

9b2ff46a2113d6925ee7be622c1c6e1d_38_Y2Si1Sn1

[ "Au", "Er", "Rb", "Te" ]

12

A3BCD

AuErRbTe3

Au1 Er1 Rb1 Te3

4

[ 1, 1, 1 ]

3

[ [ 2.11791831, -8.522425688, 0 ], [ 2.11791831, 8.522425688, 0 ], [ 0, 0, 11.241318933 ] ]

oqmd-4936814

[ [ 2.11792, -0.5919399999999928, 2.810330000000001 ], [ 2.11792, 0.5919399999999921, 8.430990000000001 ], [ 0, 0, 0 ], [ 0, 0, 5.620660000000002 ], [ 2.11792, 4.378330000000007, 2.810330000000001 ], [ 2.11792, -4.378330000000007, 8.430990000000001 ], [ 2.11792, -2.149379999999998, 0.5333299999999997 ], [ 2.11792, -7.265190000000001, 2.810330000000001 ], [ 2.11792, -2.149379999999998, 5.087330000000002 ], [ 2.11792, 2.1493799999999976, 6.153990000000001 ], [ 2.11792, 7.265190000000002, 8.430990000000001 ], [ 2.11792, 2.1493799999999976, 10.707990000000004 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Au", "Au", "Er", "Er", "Rb", "Rb", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 3.22687558, 0, 0 ], [ 0, 4.10577105, 0 ], [ 0, 0, 4.33565962 ] ]

-47.374

[ 0, 0, -0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.030041, 0 ], [ 0, -0.030041, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.017331, 0 ], [ 0, -0.017331, 0 ], [ 0, 0.01353, 0.009204 ], [ 0, -0.016421, 0 ], [ 0, 0.01353, -0.009204 ], [ 0, -0.01353, 0.009204 ], [ 0, 0.016421, 0 ], [ 0, -0.01353, -0.009204 ] ]

0.004954

null

pbe

true

9516dc13bd0d27331b964b341d425a71_63_Rb2Er2Te6Au2

[ "Au", "Cs", "Re" ]

3

ABC

AuCsRe

Au1 Cs1 Re1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.487251, 3.487251 ], [ 3.487251, 0, 3.487251 ], [ 3.487251, 3.487251, 0 ] ]

oqmd-3689552

[ [ 1.7436300000000018, 1.7436300000000018, 1.7436300000000018 ], [ 5.2308699999999995, 5.2308699999999995, 5.2308699999999995 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "Au", "Cs", "Re" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 9.0932, 0.0024, 0.0024 ], [ 0.0024, 9.0932, 0.0024 ], [ 0.0024, 0.0024, 9.0932 ] ]

-10.549

[ 0, 0, 0 ]

[ [ 0.000675, 0.000675, 0.000675 ], [ -0.001635, -0.001635, -0.001635 ], [ 0.00096, 0.00096, 0.00096 ] ]

3.00307

null

pbe

true

5f9600aa242fb3b0ebe5a9ef4ebe7f24_216_Cs1Re1Au1

[ "Ho", "Lu", "Te", "Tm" ]

9

A3B3C2D

Ho3Lu2TeTm3

Ho3 Lu2 Te1 Tm3

4

[ 1, 1, 1 ]

3

[ [ 9.11019087, 0, 0 ], [ -4.555095435, 7.889656727, 0 ], [ 0, 0, 3.729386789 ] ]

oqmd-6080917

[ [ 2.5242100000000005, 0, 1.8646900000000004 ], [ -1.2621050089158143, 2.1860299999999997, 1.8646900000000004 ], [ 3.2929900000000005, 5.7036299999999995, 1.8646900000000004 ], [ 4.555100000000001, 2.62989, 1.8646900000000004 ], [ 5.5324172094663655e-17, 5.259769999999999, 1.8646900000000004 ], [ 0, 0, 0 ], [ 5.59565, 0, 0 ], [ 1.75727, 3.0436799999999997, 0 ], [ -2.7978278573971345, 4.845979999999999, 0 ] ]

[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Ho", "Ho", "Ho", "Lu", "Lu", "Te", "Tm", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.2222222222222222, 0.1111111111111111, 0.3333333333333333 ]

[ [ 4.59075966, 0, 0 ], [ 0, 4.59075966, 0 ], [ 0, 0, 3.52961639 ] ]

-41.8656

[ 0, 0, 0, 0.001, 0.001, 0, 0, 0, 0 ]

[ [ -0.014948, 0, 0 ], [ 0.007474, -0.012945, 0 ], [ 0.007474, 0.012945, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.022511, 0, 0 ], [ -0.011256, -0.019495, 0 ], [ -0.011256, 0.019495, 0 ] ]

0.005851

null

pbe

true

e2b70c9d1c01ba34a03a2c3e7ff61808_189_Ho3Tm3Lu2Te1

[ "B", "Ba", "Pd" ]

6

A4BC

B4BaPd

B4 Ba1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 3.199656673, 0, 0 ], [ -1.599828337, 2.770983962, 0 ], [ 0, 0, 8.112938439 ] ]

oqmd-5875434

[ [ 1.5998300000000003, 0.92366, 1.61249 ], [ 6.457022777721848e-17, 1.84732, 1.61249 ], [ 1.5998300000000003, 0.92366, 6.500449999999999 ], [ 6.457022777721848e-17, 1.84732, 6.500449999999999 ], [ 0, 0, 4.056469999999999 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "B", "B", "B", "B", "Ba", "Pd" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 6.11586954, 0, 0 ], [ 0, 6.11586954, 0 ], [ 0, 0, 0.49697745 ] ]

-32.2059

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.011109 ], [ 0, 0, -0.011109 ], [ 0, 0, 0.011109 ], [ 0, 0, 0.011109 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

true

3869a700d45033bb6e037ab36e42a01b_191_Ba1B4Pd1

[ "Be", "K", "Pu" ]

3

ABC

BeKPu

Be1 K1 Pu1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.605870791, 3.605870791 ], [ 3.605870791, 0, 3.605870791 ], [ 3.605870791, 3.605870791, 0 ] ]

oqmd-6968653

[ [ 0, 0, 0 ], [ 1.80294, 1.80294, 1.80294 ], [ 5.408810000000001, 5.408810000000001, 5.408810000000001 ] ]

[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Be", "K", "Pu" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 20.31482493, 0, 0 ], [ 0, 20.31482493, 0 ], [ 0, 0, 20.31482493 ] ]

-15.7626

[ 0.166, 0.045, 5.822 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

6.97293

null

pbe

true

b43e530006ba7147e04ef4389ac19b29_216_K1Pu1Be1

[ "As", "H", "Mg", "O", "Tl" ]

50

A12B10CDE

AsH12MgO10Tl

As1 H12 Mg1 O10 Tl1

5

[ 1, 1, 1 ]

3

[ [ 6.879213147, 0, 0 ], [ 0, 6.122798975, 0 ], [ 0, 0, 11.23034415 ] ]

oqmd-6919187

[ [ 0, 6.07456, 0.09535 ], [ 3.43961, 0.04824, 5.71052 ], [ 1.77774, 2.23781, 0.14364 ], [ 5.10147, 2.23781, 0.14364 ], [ 1.22034, 3.73283, 0.3213 ], [ 5.65887, 3.73283, 0.3213 ], [ 1.41684, 1.34185, 2.101189999999999 ], [ 5.46237, 1.34185, 2.101189999999999 ], [ 0, 4.45958, 2.46763 ], [ 2.23756, 1.13992, 3.45129 ], [ 4.64165, 1.13992, 3.45129 ], [ 0, 5.1397, 3.9401 ], [ 0.80071, 0.01084, 5.58836 ], [ 6.0785, 0.01084, 5.58836 ], [ 1.6618700000000002, 3.8849900000000006, 5.758810000000001 ], [ 5.21734, 3.8849900000000006, 5.758810000000001 ], [ 2.21927, 2.38997, 5.93647 ], [ 4.65994, 2.38997, 5.93647 ], [ 2.02277, 4.78095, 7.71636 ], [ 4.85644, 4.78095, 7.71636 ], [ 3.43961, 1.66322, 8.0828 ], [ 1.20205, 4.98288, 9.06646 ], [ 5.67716, 4.98288, 9.06646 ], [ 3.43961, 0.9831, 9.55527 ], [ 2.6389, 6.111960000000001, 11.20353 ], [ 4.24031, 6.111960000000001, 11.20353 ], [ 0, 2.3551000000000006, 4.25693 ], [ 3.43961, 3.7677, 9.8721 ], [ 2.03138, 3.20336, 0.01766 ], [ 4.84783, 3.20336, 0.01766 ], [ 1.41542, 0.76599, 0.6185 ], [ 5.46379, 0.76599, 0.6185 ], [ 0, 4.52922, 0.85763 ], [ 1.54864, 1.7444000000000002, 3.0181099999999996 ], [ 5.33057, 1.7444000000000002, 3.0181099999999996 ], [ 0, 4.27341, 3.45729 ], [ 3.43961, 0.21744, 4.00994 ], [ 0, 0.39674, 5.10051 ], [ 1.40823, 2.91944, 5.63283 ], [ 5.47098, 2.91944, 5.63283 ], [ 2.02419, 5.35681, 6.233669999999999 ], [ 4.85502, 5.35681, 6.233669999999999 ], [ 3.43961, 1.59358, 6.4728 ], [ 1.89097, 4.3784, 8.63328 ], [ 4.98824, 4.3784, 8.63328 ], [ 3.43961, 1.84939, 9.07246 ], [ 0, 5.90536, 9.62511 ], [ 3.43961, 5.7260599999999995, 10.71568 ], [ 3.43961, 3.85987, 2.47517 ], [ 0, 2.26293, 8.09034 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "As", "As", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "Mg", "Mg", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.04, 0.48, 0.04, 0.4, 0.04 ]

[ [ 34.1248754, 0, 0 ], [ 0, 33.78389809, 0 ], [ 0, 0, 32.41936725 ] ]

-258.569

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.022377, -0.023311 ], [ 0, -0.022377, -0.023311 ], [ 0.006977, 0.017393, -0.006752 ], [ -0.006977, 0.017393, -0.006752 ], [ 0.043019, -0.038421, -0.009671 ], [ -0.043019, -0.038421, -0.009671 ], [ 0.005913, 0.005863, 0.045506 ], [ -0.005913, 0.005863, 0.045506 ], [ 0, -0.027353, 0.052717 ], [ -0.030477, 0.016292, -0.013107 ], [ 0.030477, 0.016292, -0.013107 ], [ 0, -0.032373, -0.02512 ], [ -0.028359, -0.000401, -0.022008 ], [ 0.028359, -0.000401, -0.022008 ], [ -0.006977, -0.017393, -0.006752 ], [ 0.006977, -0.017393, -0.006752 ], [ -0.043019, 0.038421, -0.009671 ], [ 0.043019, 0.038421, -0.009671 ], [ -0.005913, -0.005863, 0.045506 ], [ 0.005913, -0.005863, 0.045506 ], [ 0, 0.027353, 0.052717 ], [ 0.030477, -0.016292, -0.013107 ], [ -0.030477, -0.016292, -0.013107 ], [ 0, 0.032373, -0.02512 ], [ 0.028359, 0.000401, -0.022008 ], [ -0.028359, 0.000401, -0.022008 ], [ 0, -0.00474, -0.020139 ], [ 0, 0.00474, -0.020139 ], [ -0.059556, 0.006992, 0.042728 ], [ 0.059556, 0.006992, 0.042728 ], [ 0.039016, 0.005254, 0.010333 ], [ -0.039016, 0.005254, 0.010333 ], [ 0, -0.037228, 0.015758 ], [ 0.03754, -0.036738, -0.036428 ], [ -0.03754, -0.036738, -0.036428 ], [ 0, 0.03781, -0.046754 ], [ 0, 0.038561, -0.002783 ], [ 0, -0.049938, 0.011734 ], [ 0.059556, -0.006992, 0.042728 ], [ -0.059556, -0.006992, 0.042728 ], [ -0.039016, -0.005254, 0.010333 ], [ 0.039016, -0.005254, 0.010333 ], [ 0, 0.037228, 0.015758 ], [ -0.03754, 0.036738, -0.036428 ], [ 0.03754, 0.036738, -0.036428 ], [ 0, -0.03781, -0.046754 ], [ 0, -0.038561, -0.002783 ], [ 0, 0.049938, 0.011734 ], [ 0, 0.006471, 0.016698 ], [ 0, -0.006471, 0.016698 ] ]

null

pbe

false

1b91999080d335821e290f3cac73901e_31_Mg2Tl2As2H24O20

[ "Mn", "Pd", "Sc" ]

4

A2BC

MnPdSc2

Mn1 Pd1 Sc2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.281, 3.281 ], [ 3.281, 0, 3.281 ], [ 3.281, 3.281, 0 ] ]

oqmd-3909448

[ [ 1.6405, 1.6405, 1.6405 ], [ 3.281, 3.281, 3.281 ], [ 0, 0, 0 ], [ 4.9215, 4.9215, 4.9215 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Mn", "Pd", "Sc", "Sc" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 9.36554, 0, 0 ], [ 0, 9.36554, 0 ], [ 0, 0, 9.36554 ] ]

-27.5938

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.98083

null

pbe

false

e1a3549a6788786b4577bad4266c0e7c_216_Sc2Mn1Pd1

[ "Ho", "Sm" ]

2

AB

HoSm

Ho1 Sm1

2

[ 1, 1, 1 ]

3

[ [ 3.626077, 0, 0 ], [ -1.813039, 3.140262, 0 ], [ 0, 0, 5.713901 ] ]

oqmd-4145839

[ [ 1.813039999999997, 1.0467600000000012, 4.285429999999998 ], [ -3.5511490624198347e-16, 2.0935099999999993, 1.428480000000002 ] ]

[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Ho", "Sm" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 3.84852, 0, 0 ], [ 0, 3.84849, 0 ], [ 0, 0, 2.78954 ] ]

-9.24832

[ 0.024, 0.005 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.055499

null

pbe

true

f1f39109ce74bf176e21b7f5fc51cc0b_187_Sm1Ho1

[ "Ga", "Sn" ]

21

A4B3

Ga3Sn4

Ga3 Sn4

2

[ 1, 1, 1 ]

3

[ [ 6.125902921, -4.576863446, 0 ], [ 6.125902921, 4.576863446, 0 ], [ -1.691678255, 0, 9.122416097 ] ]

oqmd-7671356

[ [ 0, 0, 0 ], [ 4.454379999999999, -2.7697699999999994, 1.5767 ], [ 4.45438, 2.7697700000000003, 1.5767 ], [ 5.48222, 7.294929156569206e-16, 2.51932 ], [ 9.15733, 6.409196292136209e-16, 3.19117 ], [ 1.4028000000000005, 2.471040607563566e-16, 5.93124 ], [ 5.0779, 4.51606685173366e-16, 6.60309 ], [ 6.1057500000000005, -2.76977, 7.545720000000001 ], [ 6.10575, 2.7697700000000003, 7.545720000000001 ], [ 3.02117, 2.621203122332274e-16, 0.8534 ], [ 7.4216, -1.8503199999999995, 1.33067 ], [ 7.4216, 1.8503200000000009, 1.33067 ], [ 0.4598900000000001, 1.1479404753864482e-16, 3.0867 ], [ 3.66703, -1.6446799999999997, 4.38054 ], [ 3.667030000000001, 1.6446800000000004, 4.38054 ], [ 6.8931, -1.6446799999999997, 4.74188 ], [ 6.8931, 1.644680000000001, 4.74188 ], [ 10.10024, 1.3409202500601217e-15, 6.03572 ], [ 3.13853, -1.8503199999999995, 7.791750000000001 ], [ 3.13853, 1.8503200000000009, 7.791750000000001 ], [ 7.538959999999999, 6.579257317274406e-16, 8.26901 ] ]

[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]

2024-11-01 00:00:00

[ 0.42857142857142855, 0.5714285714285714 ]

[ [ 4.13627839, 0, 0.345968 ], [ 0, 2.14470671, 0 ], [ 0.345968, 0, 2.14302876 ] ]

-73.738

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0.012368, 0.002168, 0.013037 ], [ 0.012368, -0.002168, 0.013037 ], [ -0.073977, 0, -0.021108 ], [ 0.030142, 0, 0.014091 ], [ -0.030142, 0, -0.014091 ], [ 0.073977, 0, 0.021108 ], [ -0.012368, 0.002168, -0.013037 ], [ -0.012368, -0.002168, -0.013037 ], [ -0.029685, 0, 0.022653 ], [ 0.024416, 0.046914, -0.0104 ], [ 0.024416, -0.046914, -0.0104 ], [ -0.01297, 0, 0.024784 ], [ -0.008203, -0.006482, 0.061461 ], [ -0.008203, 0.006482, 0.061461 ], [ 0.008203, -0.006482, -0.061461 ], [ 0.008203, 0.006482, -0.061461 ], [ 0.01297, 0, -0.024784 ], [ -0.024416, 0.046914, 0.0104 ], [ -0.024416, -0.046914, 0.0104 ], [ 0.029685, 0, -0.022653 ] ]

null

pbe

false

b55f06bf9a77ad908c64ef4da164ee13_12_Ga9Sn12

[ "As", "La", "O" ]

10

A3BC

AsLaO3

As1 La1 O3

3

[ 1, 1, 1 ]

3

[ [ 2.913534, -1.68213, -4.56389 ], [ -2.913534, -1.68213, -4.56389 ], [ 0, 3.364259, -4.56389 ] ]

oqmd-2605407

[ [ 0, 0, 0 ], [ -1.0003615432655167e-16, -1.28556768172955e-15, -6.845830000000001 ], [ -4.6216117744007736e-17, 8.634291316355328e-16, -3.422919999999997 ], [ -1.969635960994553e-16, -3.111162476315015e-16, -10.268749999999995 ], [ 1.1791700000000007, -1.3218799999999995, -5.704859999999998 ], [ -0.5551900000000006, -1.6821300000000006, -7.986810000000001 ], [ -1.7343600000000017, -0.36024999999999935, -5.704859999999998 ], [ 1.7343599999999988, 0.3602499999999986, -7.986810000000001 ], [ 0.555189999999998, 1.6821299999999997, -5.704859999999998 ], [ -1.179170000000001, 1.3218800000000004, -7.986809999999997 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "As", "As", "La", "La", "O", "O", "O", "O", "O", "O" ]

2024-11-01 00:00:00

[ 0.2, 0.2, 0.6 ]

[ [ 63.18146, 0, 0 ], [ 0, 63.18146, 0 ], [ 0, 0, 45.81497 ] ]

-70.0042

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.018945, -0.032814, 0 ], [ -0.03789, 0, 0 ], [ -0.018945, 0.032814, 0 ], [ 0.018945, -0.032814, 0 ], [ 0.03789, 0, 0 ], [ 0.018945, 0.032814, 0 ] ]

-0.000045

null

pbe

false

f4f11ddf551e006a1726bea2d7a0e93c_167_La2As2O6

[ "Bi", "Ir", "Pu" ]

3

ABC

BiIrPu

Bi1 Ir1 Pu1

3

[ 1, 1, 1 ]

3

[ [ 2.377611, 1.372714, 3.882622 ], [ -2.377611, 1.372714, 3.882622 ], [ 0, -2.745429, 3.882622 ] ]

oqmd-3961317

[ [ 8.462494312475956e-17, 1.9666893921329786e-15, 8.735910000000004 ], [ 0, 0, 0 ], [ 4.4431693294392995e-17, 7.45100333077586e-16, 2.911959999999997 ] ]

[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Bi", "Ir", "Pu" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 12.4409, 0, 0 ], [ 0, 12.4409, 0 ], [ 0, 0, 11.92443 ] ]

-28.1157

[ 0, 0, 0 ]

[ [ 0, 0, 0.000883 ], [ 0, 0, -0.00073 ], [ 0, 0, -0.000153 ] ]

4.79951

null

pbe

true

f19c58c626b29f3bd222e15fe768b252_216_Pu1Bi1Ir1

[ "C", "Sb", "Tm" ]

8

A5B2C

C2SbTm5

C2 Sb1 Tm5

3

[ 1, 1, 1 ]

3

[ [ 3.553308669, 0, 0 ], [ -1.776654335, 3.077255575, 0 ], [ 0, 0, 16.402686877 ] ]

oqmd-9207012

[ [ -4.466315742306772e-16, 2.0515000000000003, 3.78187 ], [ -4.466315742306772e-16, 2.0515000000000003, 12.62082 ], [ 0, 0, 0 ], [ 1.7766499999999996, 1.0257500000000002, 2.48936 ], [ 0, 0, 5.11224 ], [ 1.7766499999999996, 1.0257500000000002, 8.20134 ], [ 0, 0, 11.29045 ], [ 1.7766499999999996, 1.0257500000000002, 13.91333 ] ]

[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "C", "C", "Sb", "Tm", "Tm", "Tm", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.25, 0.125, 0.625 ]

[ [ 4.25049108, 0, 0 ], [ 0, 4.25049108, 0 ], [ 0, 0, 4.57486841 ] ]

-48.4064

[ -0.003, -0.003, 0, 0.025, 0.095, 0.408, 0.099, 0.026 ]

[ [ 0, 0, 0.014637 ], [ 0, 0, -0.014637 ], [ 0, 0, 0 ], [ 0, 0, -0.089717 ], [ 0, 0, -0.013985 ], [ 0, 0, 0 ], [ 0, 0, 0.013985 ], [ 0, 0, 0.089717 ] ]

0.850011

null

pbe

true

9b2a295a1f2e8737bba056e0cadcbc13_187_Tm5Sb1C2

[ "Cl", "Ho", "S" ]

10

A2B2C

Cl2HoS2

Cl2 Ho1 S2

3

[ 1, 1, 1 ]

3

[ [ 3.485351624, -6.614905987, 0 ], [ 3.485351624, 6.614905987, 0 ], [ -2.136415867, 0, 6.901403841 ] ]

oqmd-5531618

[ [ 1.5528600000000004, -3.5592100000000007, 1.680149999999999 ], [ 1.5528600000000004, 3.5592100000000007, 1.680149999999999 ], [ 3.28143, -3.559209999999996, 5.221260000000003 ], [ 3.28143, 3.5592099999999967, 5.221260000000003 ], [ 3.4853499999999995, -4.345959999999995, 0 ], [ 3.48535, 4.345959999999995, 0 ], [ 1.6675600000000008, 1.054372361614416e-16, 0.39832999999999974 ], [ 0.1702399999999968, 4.9980123628190456e-17, 1.7096900000000013 ], [ 4.664049999999998, 2.9469582164011104e-16, 5.19172 ], [ 3.1667299999999967, 1.7824677513869898e-16, 6.503070000000001 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]

[ "Cl", "Cl", "Cl", "Cl", "Ho", "Ho", "S", "S", "S", "S" ]

2024-11-01 00:00:00

[ 0.4, 0.2, 0.4 ]

[ [ 4.02730801, 0, -0.76690534 ], [ 0, 3.73965089, 0 ], [ -0.76690534, 0, 2.34330894 ] ]

-48.2675

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.009564, 0.004154, -0.008231 ], [ -0.009564, -0.004154, -0.008231 ], [ 0.009564, 0.004154, 0.008231 ], [ 0.009564, -0.004154, 0.008231 ], [ 0, -0.01177, 0 ], [ 0, 0.01177, 0 ], [ -0.013373, 0, -0.017163 ], [ -0.02109, 0, 0.026311 ], [ 0.02109, 0, -0.026311 ], [ 0.013373, 0, 0.017163 ] ]

0.002437

null

pbe

true

b3646621b22803039392dc9b49b2bf39_12_Ho2S4Cl4

[ "Al", "Cd", "Se", "Te" ]

7

A3B2CD

Al2CdSe3Te

Al2 Cd1 Se3 Te1

4

[ 1, 1, 1 ]

3

[ [ 5.923030285, 0, 0 ], [ -0.138869113, 5.999824721, 0 ], [ -2.84623505, -2.867605232, 5.543803963 ] ]

oqmd-6678831

[ [ 0.0006600000000001259, 3.13253, 2.82296 ], [ -2.941079999999999, 3.07296, 5.502509999999999 ], [ -0.006829999999999324, 0.16498999999999958, 5.52193 ], [ 1.30942, 4.665989999999999, 1.47433 ], [ -1.4932, -1.5254500000000002, 4.01956 ], [ 1.587460000000001, 1.73995, 4.02192 ], [ 4.43363, 1.34407, 1.58389 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Al", "Al", "Cd", "Se", "Se", "Se", "Te" ]

2024-11-01 00:00:00

[ 0.2857142857142857, 0.14285714285714285, 0.42857142857142855, 0.14285714285714285 ]

[ [ 4.76941947, 0.05361565, -0.24041998 ], [ 0.05361565, 5.15679088, -0.21674503 ], [ -0.24041998, -0.21674503, 5.30590756 ] ]

-27.0437

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.010671, -0.006896, -0.009312 ], [ -0.015615, 0.010333, -0.003592 ], [ 0.006304, -0.013432, -0.000801 ], [ -0.008489, -0.001593, -0.008914 ], [ 0.014619, -0.008674, -0.006982 ], [ 0.000242, 0.028559, 0.010313 ], [ 0.01361, -0.008297, 0.019288 ] ]

null

pbe

true

dfdae2455efe7773ca7e5bb9fe1ebd2b_1_Al2Cd1Te1Se3

[ "Dy", "Pb", "Zn" ]

12

ABC

DyPbZn

Dy1 Pb1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 4.590344012, 0, 0 ], [ -2.295172006, 3.975354527, 0 ], [ 0, 0, 16.004579839 ] ]

oqmd-5649129

[ [ 0, 0, 0 ], [ 0, 0, 4.001140000000008 ], [ 0, 0, 8.002289999999997 ], [ 0, 0, 12.003430000000003 ], [ -2.3042469613442585e-15, 2.6502400000000006, 1.7571599999999992 ], [ -2.3042469613442585e-15, 2.6502400000000006, 6.245129999999998 ], [ 2.2951699999999993, 1.3251199999999983, 9.759449999999994 ], [ 2.2951699999999993, 1.3251199999999983, 14.247419999999993 ], [ 2.2951699999999993, 1.3251199999999983, 2.6477800000000036 ], [ 2.2951699999999993, 1.3251199999999983, 5.354509999999992 ], [ -2.3042469613442585e-15, 2.6502400000000006, 10.65007 ], [ -2.3042469613442585e-15, 2.6502400000000006, 13.356800000000003 ] ]

[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Dy", "Dy", "Dy", "Dy", "Pb", "Pb", "Pb", "Pb", "Zn", "Zn", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.13198, 0, 0 ], [ 0, 4.13198, 0 ], [ 0, 0, 4.51809418 ] ]

-43.1205

[ 0.001, 0, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01091 ], [ 0, 0, 0.01091 ], [ 0, 0, -0.01091 ], [ 0, 0, 0.01091 ], [ 0, 0, 0.002137 ], [ 0, 0, -0.002137 ], [ 0, 0, 0.002137 ], [ 0, 0, -0.002137 ] ]

0.022976

null

pbe

true

06c0c14fc759d723bd7e8a0dca4cf768_194_Dy4Zn4Pb4

[ "Ho", "Ni", "Pt", "Sn" ]

9

A3B3C2D

Ho3Ni2PtSn3

Ho3 Ni2 Pt1 Sn3

4

[ 1, 1, 1 ]

3

[ [ 7.309683764, 0, 0 ], [ -3.654841882, 6.330371833, 0 ], [ 0, 0, 4.022895332 ] ]

oqmd-6079303

[ [ 2.97489, 0, 0 ], [ -1.487444819081145, 2.57633, 0 ], [ 2.1674, 3.75404, 0 ], [ 3.65484, 2.11012, 2.01145 ], [ 1.5931923996545354e-18, 4.22025, 2.01145 ], [ 0, 0, 0 ], [ 5.35233, 0, 2.01145 ], [ 0.9786800000000004, 1.69512, 2.01145 ], [ -2.6761628353688685, 4.63525, 2.01145 ] ]

[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Ho", "Ho", "Ho", "Ni", "Ni", "Pt", "Sn", "Sn", "Sn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.2222222222222222, 0.1111111111111111, 0.3333333333333333 ]

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-50.028

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

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-0.001697

null

pbe

true

70e4a816a0a076eeea47544a2df25783_189_Ho3Ni2Sn3Pt1

[ "O", "P", "Rb" ]

8

A4B3C

O4PRb3

O4 P1 Rb3

3

[ 1, 1, 1 ]

3

[ [ -2.949613968, 4.126116133, 3.112649133 ], [ 2.949613968, -4.126116133, 3.112649133 ], [ 2.949613968, 4.126116133, -3.112649133 ] ]

oqmd-7822228

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "O", "O", "O", "O", "P", "Rb", "Rb", "Rb" ]

2024-11-01 00:00:00

[ 0.5, 0.125, 0.375 ]

[ [ 24.73518179, 0, 0 ], [ 0, 24.04084915, 0 ], [ 0, 0, 20.07881143 ] ]

-44.9499

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

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null

pbe

false

35ba4bb5e8e10471b6e988605cec8c58_44_Rb3P1O4

[ "Pu", "Ru", "Ta" ]

3

ABC

PuRuTa

Pu1 Ru1 Ta1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.097161197, 3.097161197 ], [ 3.097161197, 0, 3.097161197 ], [ 3.097161197, 3.097161197, 0 ] ]

oqmd-6932632

[ [ 0, 0, 0 ], [ 1.54858, 1.54858, 1.54858 ], [ 4.64574, 4.64574, 4.64574 ] ]

[{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]

[ "Pu", "Ru", "Ta" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 45.58270267, 0, 0 ], [ 0, 45.58270267, 0 ], [ 0, 0, 45.58270267 ] ]

-32.9268

[ 4.339, -0.316, 0.142 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.14888

null

pbe

false

ee91735e5d2acebd81357357055dea57_216_Pu1Ta1Ru1

[ "Eu", "Na", "Pb", "Sr" ]

4

ABCD

EuNaPbSr

Na1 Sr1 Eu1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 5.8183112, 0, 0 ], [ 2.9091556, 5.03880531, 0 ], [ 2.9091556, 1.67960177, 4.7506312 ] ]

agm001387524

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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Pb", "Eu", "Na", "Sr" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.444226, 0, 0 ], [ 0, 2.444226, 0 ], [ 0, 0, 2.444226 ] ]

-18.326053

[ 0.028, -6.921, -0.009, -0.004 ]

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-7.173941

13.364295

pbe

true

7ae68c8e4f6a7f9cdf18df7f425e64a1_216_Na1Sr1Eu1Pb1

[ "Na", "O", "P", "Se" ]

12

A8B2CD

NaO8P2Se

Na1 P2 Se1 O8

4

[ 1, 1, 1 ]

3

[ [ 4.78168175, -0.15242014, -0.09290342 ], [ 2.0705355, 4.31284071, -0.09290342 ], [ 0.17343562, 0.10530389, 7.48486413 ] ]

agm004874033

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Na", "P", "P", "Se", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]

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-74.162757

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0

2.872597

pbe

true

e30a26becc230e3a3f51a8436d43afe4_12_Na1P2Se1O8

[ "F", "Mg", "Na", "O", "Ti" ]

26

A7B3CDE

FMgNaO7Ti3

Na2 Mg2 Ti6 O14 F2

5

[ 1, 1, 1 ]

3

[ [ 3.63267123, 0, 0 ], [ 0, 9.51928082, 0 ], [ 0, 0, 10.90222989 ] ]

agm005247052

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Na", "Na", "Mg", "Mg", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "F", "F" ]

2023-11-16 06:57:59

[ 0.07692307692307693, 0.07692307692307693, 0.07692307692307693, 0.5384615384615384, 0.23076923076923078 ]

[ [ 0.81887037, 0, 0 ], [ 0, 1.1882862, 0 ], [ 0, 0, 0.7124365 ] ]

-200.396068

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[ [ 0, 0.00078307, -0.00028181 ], [ 0, -0.00078307, -0.00028181 ], [ 0, 0.00373086, 0.00259238 ], [ 0, -0.00373086, 0.00259238 ], [ 0, 0.00029571, -0.00173335 ], [ 0, -0.0044732, -0.00202773 ], [ 0, 0.0044732, -0.00202773 ], [ 0, -0.00029571, -0.00173335 ], [ 0, 0.00144335, 0.00069246 ], [ 0, -0.00144335, 0.00069246 ], [ 0, 0.00079959, 0.00031087 ], [ 0, 0.00303111, -0.00016561 ], [ 0, -0.0004202, 0.00183033 ], [ 0, 0.0004202, 0.00183033 ], [ 0, -0.00303111, -0.00016561 ], [ 0, -0.00079959, 0.00031087 ], [ 0, 0.00438174, 0.00133839 ], [ 0, 0.00148463, -0.00161314 ], [ 0, -0.00047744, 0.00042544 ], [ 0, 0.00112115, 0.00148853 ], [ 0, -0.00438174, 0.00133839 ], [ 0, -0.00148463, -0.00161314 ], [ 0, 0.00047744, 0.00042544 ], [ 0, -0.00112115, 0.00148853 ], [ 0, 0.00089218, -0.00285676 ], [ 0, -0.00089218, -0.00285676 ] ]

0.19765

0

pbe

true

1c97e69ab0105d5693bc1675dad12490_26_Na2Mg2Ti6O14F2

[ "Na", "S", "U" ]

13

A8B3C2

Na2S8U3

Na2 U3 S8

3

[ 1, 1, 1 ]

3

[ [ 6.86158883, 0, 0.32460463 ], [ 0, 8.04714789, 0 ], [ -2.42753425, -4.02357394, 6.44305159 ] ]

agm003355219

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "Na", "Na", "U", "U", "U", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.15384615384615385, 0.6153846153846154, 0.23076923076923078 ]

[ [ 0.30523658, 0, -0.02296428 ], [ 0, 0.29357785, 0 ], [ -0.02296425, 0, 0.3965346 ] ]

-86.263321

[ 0, 0, 1.48, 1.476, 1.476, -0.064, -0.064, -0.061, -0.061, -0.062, -0.062, -0.062, -0.062 ]

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4.000011

17.205423

pbe

true

a8968bf50759b70efa6036dc29003f19_12_Na2U3S8

[ "O", "Si", "Tb" ]

18

A6B2C

O6Si2Tb

Tb2 Si4 O12

3

[ 1, 1, 1 ]

3

[ [ 5.36902846, 0.15857541, 0.95549884 ], [ 1.31975163, 7.05450343, 0.33768037 ], [ 0.30801047, 0.09585303, 7.17758503 ] ]

agm005708721

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Tb", "Tb", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.2222222222222222, 0.1111111111111111 ]

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-139.533771

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[ [ 0.00044748, 0.00307774, -0.00302522 ], [ -0.00044748, -0.00307774, 0.00302522 ], [ 0.0017575, -0.00190615, 0.00108628 ], [ -0.00215526, -0.00082958, 0.00160277 ], [ -0.0017575, 0.00190615, -0.00108628 ], [ 0.00215526, 0.00082958, -0.00160277 ], [ 0.00331539, -0.00268367, -0.00098831 ], [ -0.0034954, 0.00144562, 0.00220523 ], [ -0.00331539, 0.00268367, 0.00098831 ], [ 0.0034954, -0.00144562, -0.00220523 ], [ 0.00243576, -0.00020696, -0.00138357 ], [ -0.00221523, 0.00172373, -0.00010732 ], [ -0.00243576, 0.00020696, 0.00138357 ], [ 0.00221523, -0.00172373, 0.00010732 ], [ 0.00139831, 0.00024182, 0.00264239 ], [ -0.00171323, -0.00240775, -0.00051343 ], [ -0.00139831, -0.00024182, -0.00264239 ], [ 0.00171323, 0.00240775, 0.00051343 ] ]

2.080576

8.516063

pbe

true

abc7918b8b598c7e7e76e2e9801814bb_15_Tb2Si4O12

[ "Cu", "Ge", "La", "Ta" ]

5

A2BCD

Cu2GeLaTa

La1 Ta1 Cu2 Ge1

4

[ 1, 1, 1 ]

3

[ [ 4.5736048, 0, 0 ], [ 0, 4.5736048, 0 ], [ 0, 0, 5.03327697 ] ]

agm001423110

[ [ 0, 0, 0 ], [ 2.2868024, 2.2868024, 2.516638485 ], [ 0, 2.2868024, 0 ], [ 2.2868024, 0, 0 ], [ 0, 0, 2.516638485 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]

[ "Ge", "La", "Cu", "Cu", "Ta" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ -1.4378607, 0, 0 ], [ 0, -1.4378607, 0 ], [ 0, 0, -2.8376465 ] ]

-27.837042

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000009

4.428547

pbe

true

beb64460cc8336bc6349fb016f1af59e_123_La1Ta1Cu2Ge1

[ "Ho", "N", "Pu", "Se" ]

10

A2BCD

HoNPuSe2

Ho2 Pu2 Se4 N2

4

[ 1, 1, 1 ]

3

[ [ 3.92116712, 0, 0 ], [ 0, 3.92116712, 0 ], [ 0, 0, 14.427419 ] ]

agm004991259

[ [ 1.96058356, 0, 1.8210102148094902 ], [ 0, 1.96058356, 12.606408785190512 ], [ 1.96058356, 0, 8.3296342911025 ], [ 0, 1.96058356, 6.0977847088975 ], [ 0, 1.96058356, 9.93025587004207 ], [ 0, 1.96058356, 1.2842086589797301 ], [ 1.96058356, 0, 13.143210341020271 ], [ 1.96058356, 0, 4.49716312995793 ], [ 0, 0, 7.2137095 ], [ 1.96058356, 1.96058356, 7.2137095 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Ho", "Ho", "Pu", "Pu", "Se", "Se", "Se", "Se", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.1163383, 0, 0 ], [ 0, 0.1163383, 0 ], [ 0, 0, 0.06848138 ] ]

-84.001058

[ -0.011, -0.011, 4.273, 4.273, -0.103, -0.001, -0.001, -0.103, -0.298, -0.298 ]

[ [ 0, 0, 0.00111557 ], [ 0, 0, -0.00111557 ], [ 0, 0, -0.00289244 ], [ 0, 0, 0.00289244 ], [ 0, 0, -0.00123999 ], [ 0, 0, 0.00496059 ], [ 0, 0, -0.00496059 ], [ 0, 0, 0.00123999 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

7.689057

11.389379

pbe

true

c0d300e67c8610e9144de2cad797dfd5_129_Ho2Pu2Se4N2

[ "Na", "O", "P", "Pm" ]

8

ABCD

NaOPPm

Na1 O1 P1 Pm1

4

[ 1, 1, 1 ]

3

[ [ 3.727004848, 0, 0 ], [ 0, 8.011256019, 0 ], [ 0, 0, 5.984757436 ] ]

oqmd-5268639

[ [ 0, 3.312330000000002, 0.1385600000000001 ], [ 0, 4.698930000000003, 3.13094 ], [ 0, 2.646429999999998, 2.3351400000000004 ], [ 0, 5.3648299999999995, 5.327520000000002 ], [ 1.8634999999999993, 6.69872, 2.4802800000000005 ], [ 1.8634999999999993, 1.312539999999998, 5.472660000000002 ], [ 1.8634999999999993, 1.5119000000000022, 2.550879999999999 ], [ 1.8634999999999993, 6.499360000000003, 5.54326 ] ]

[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Na", "Na", "O", "O", "P", "P", "Pm", "Pm" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 12.30172927, 0, 0 ], [ 0, 47.65966311, 0 ], [ 0, 0, 9.03040775 ] ]

-44.5922

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.019386, -0.011744 ], [ 0, 0.019386, -0.011744 ], [ 0, 0.018349, -0.014367 ], [ 0, -0.018349, -0.014367 ], [ 0, 0.033692, 0.014552 ], [ 0, -0.033692, 0.014552 ], [ 0, -0.019807, 0.011558 ], [ 0, 0.019807, 0.011558 ] ]

-0.002189

null

pbe

true

b8212e6694b5e378d61780b12c2d2e55_26_Na2Pm2P2O2

[ "Er", "Lu", "Ni" ]

3

ABC

ErLuNi

Er1 Lu1 Ni1

3

[ 1, 1, 1 ]

3

[ [ 4.66391158, 0, 0 ], [ 2.33195579, 4.03906591, 0 ], [ 2.33195579, 1.3463553, 3.80806786 ] ]

agm001238417

[ [ 2.33195579, 1.3463553025, 0.952016965 ], [ 4.66391158, 2.692710605, 1.90403393 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Ni", "Lu", "Er" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -2.0287004, 0, 0 ], [ 0, -2.0287004, 0 ], [ 0, 0, -2.0287004 ] ]

-15.483748

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.001081

3.394647

pbe

true

941b9531b293138de3d588e3f226b0d4_216_Er1Lu1Ni1

[ "As", "Be", "Cu" ]

6

ABC

AsBeCu

Be2 Cu2 As2

3

[ 1, 1, 1 ]

3

[ [ 3.2612903, -1.88290683, 0 ], [ 0, 3.76581367, 0 ], [ 0, 0, 6.96725971 ] ]

agm003043374

[ [ 1.087096755795699, 1.882906855495735, 1.7418149275 ], [ 2.174193544204301, -1.549573508484149e-8, 5.2254447825 ], [ 1.087096755795699, 1.882906855495735, 5.2254447825 ], [ 2.174193544204301, -1.549573508484149e-8, 1.7418149275 ], [ 0, 0, 0 ], [ 0, 0, 3.483629855 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Be", "Be", "As", "As", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -3.1814728, 0, 0 ], [ 0, -3.1814728, 0 ], [ 0, 0, -1.5693753 ] ]

-23.839555

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

pbe

true

1d156d8474771223118aa6518e04b63b_194_Be2Cu2As2

[ "Au", "In", "W" ]

4

A2BC

Au2InW

In1 W1 Au2

3

[ 1, 1, 1 ]

3

[ [ 4.78420528, 0, 0 ], [ 0, 4.78420528, 0 ], [ 0, 0, 3.21278728 ] ]

agm004249343

[ [ 0, 0, 0 ], [ 2.39210264, 2.39210264, 0 ], [ 2.39210264, 0, 1.60639364 ], [ 0, 2.39210264, 1.60639364 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Au", "Au", "In", "W" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 8.355414, 0, 0 ], [ 0, 8.355414, 0 ], [ 0, 0, 2.9980586 ] ]

-20.374246

[ 0.012, 0.012, -0.01, 0.316 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.402079

2.327885

pbe

true

0bebdd5d22ae9e8924f0a22d66aa7d5c_123_In1W1Au2

[ "B", "Pb", "W" ]

4

A2BC

BPbW2

B1 Pb1 W2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.15724103, 3.15724103 ], [ 3.15724103, 0, 3.15724103 ], [ 3.15724103, 3.15724103, 0 ] ]

agm002642915

[ [ 3.15724103, 3.15724103, 3.15724103 ], [ 0, 0, 0 ], [ 1.578620515, 1.578620515, 1.578620515 ], [ 4.735861545, 4.735861545, 4.735861545 ] ]

[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]

[ "Pb", "B", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -0.5943986, 0, 0 ], [ 0, -0.5943986, 0 ], [ 0, 0, -0.5943986 ] ]

-30.41617

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

2.124851

pbe

true

be11c9096224eeda3b2fe2c76d489f61_225_B1Pb1W2

[ "Bi", "N", "Ti" ]

5

A3BC

BiNTi3

Ti3 Bi1 N1

3

[ 1, 1, 1 ]

3

[ [ 4.26819519, 0, 0 ], [ 0, 4.26819519, 0 ], [ 0, 0, 4.26819519 ] ]

agm002292137

[ [ 2.134097595, 2.134097595, 2.134097595 ], [ 0, 0, 0 ], [ 2.134097595, 0, 2.134097595 ], [ 0, 2.134097595, 2.134097595 ], [ 2.134097595, 2.134097595, 0 ] ]

[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "N", "Bi", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -1.8543555, 0, 0 ], [ 0, -1.8543555, 0 ], [ 0, 0, -1.8543555 ] ]

-39.202773

[ 0.011, 0.026, 0.581, 0.53, 0.677 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.284265

4.277301

pbe

true

6a7743186a7ffe9bd6d4e58573a64433_221_Ti3Bi1N1

[ "Ag", "Cr", "Ga", "P" ]

5

A2BCD

Ag2CrGaP

Cr1 Ga1 Ag2 P1

4

[ 1, 1, 1 ]

3

[ [ 4.7229195, 0, 0 ], [ 0, 4.97754689, 0 ], [ 0, 0, 4.7229195 ] ]

agm001577540

[ [ 2.36145975, 2.488773445, 2.36145975 ], [ 0, 2.488773445, 0 ], [ 0, 0, 2.36145975 ], [ 2.36145975, 0, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Cr", "Ga", "Ag", "Ag", "P" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 6.858495, 0, 0 ], [ 0, 5.382571, 0 ], [ 0, 0, 6.858495 ] ]

-20.451304

[ 4.169, 0.009, 0.05, 0.031, 0.059 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

5.096912

2.268968

pbe

true

06a00a0bc17e6e7f632253e8648abee6_123_Cr1Ga1Ag2P1

[ "Ac", "Cl", "In" ]

7

A4B2C

Ac4ClIn2

Ac4 In2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 5.60567755, 0, 0 ], [ 0, 5.60567755, 0 ], [ -2.80283877, -2.80283877, 8.71857986 ] ]

agm001084338

[ [ 2.8028388062283303, 2.8028388062283303, 5.579790759545812 ], [ -2.6228330103366717e-8, -2.6228330103366717e-8, 3.1387891004541886 ], [ 0, 2.802838775, 0 ], [ 2.802838775, 0, 0 ], [ 0, 0, 0 ], [ 2.8028387762643128, 2.8028387762643128, 2.204602074220847 ], [ 3.735687191215767e-9, 3.735687191215767e-9, 6.513977785779153 ] ]

[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]

[ "Ac", "Ac", "Ac", "Ac", "Cl", "In", "In" ]

2023-11-16 06:57:59

[ 0.5714285714285714, 0.14285714285714285, 0.2857142857142857 ]

[ [ 0.72061926, 0, 0 ], [ 0, 0.72061926, 0 ], [ 0, 0, 0.91899407 ] ]

-27.058755

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00340262 ], [ 0, 0, -0.00340262 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00608618 ], [ 0, 0, -0.00608618 ] ]

-0.000038

6.221289

pbe

true

705936238750fee34d32788108e7dd7c_139_Ac4In2Cl1

[ "Ag", "La", "Ni", "Pu" ]

4

ABCD

AgLaNiPu

La1 Pu1 Ni1 Ag1

4

[ 1, 1, 1 ]

3

[ [ 5.11952333, 0, 0 ], [ 2.55976167, 4.43363726, 0 ], [ 2.55976167, 1.47787909, 4.1800733 ] ]

agm001348111

[ [ 7.6792850025, 4.4336372625, 3.135054975 ], [ 0, 0, 0 ], [ 2.5597616675, 1.4778790875, 1.045018325 ], [ 5.119523335, 2.955758175, 2.09003665 ] ]

[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Ni", "La", "Ag", "Pu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -1.6383921, 0, 0 ], [ 0, -1.6383921, 0 ], [ 0, 0, -1.6383921 ] ]

-27.958801

[ -0.179, 0.099, 0.028, 5.412 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

5.800829

13.144753

pbe

true

649d561cc4d07660224f4eaa420b2f65_216_La1Pu1Ni1Ag1

[ "Au", "Hf", "Pd", "Y" ]

4

ABCD

AuHfPdY

Y1 Hf1 Pd1 Au1

4

[ 1, 1, 1 ]

3

[ [ 4.89357221, 0, 0 ], [ 2.44678611, 4.23795785, 0 ], [ 2.44678611, 1.41265262, 3.99558498 ] ]

agm001318951

[ [ 7.3403583225, 4.2379578525, 2.9966887349999998 ], [ 2.4467861075, 1.4126526175, 0.998896245 ], [ 0, 0, 0 ], [ 4.893572215, 2.825305235, 1.99779249 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Hf", "Au", "Pd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.9068575, 0, 0 ], [ 0, 3.9068575, 0 ], [ 0, 0, 3.9068575 ] ]

-27.365594

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000002

2.133658

pbe

true

0402260506717acb3a027eba744ba5b0_216_Y1Hf1Pd1Au1

[ "Co", "Na", "Re", "Ti" ]

5

A2BCD

CoNa2ReTi

Na2 Ti1 Co1 Re1

4

[ 1, 1, 1 ]

3

[ [ 5.29453262, 0, 0 ], [ 0, 4.32334403, 0 ], [ 0, 0, 5.29453262 ] ]

agm001591794

[ [ 0, 0, 2.64726631 ], [ 2.64726631, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.161672015, 0 ], [ 2.64726631, 2.161672015, 2.64726631 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Na", "Na", "Re", "Co", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 2.5729418, 0, 0 ], [ 0, 3.4647887, 0 ], [ 0, 0, 2.5729418 ] ]

-20.812142

[ 0.007, 0.015, 1.071, 0.702, 0.121 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.955444

9.415632

pbe

true

e874b1c992acebd01dae2a27e66c56f2_123_Na2Ti1Co1Re1

[ "Cu", "Hg", "Ho" ]

4

A2BC

CuHg2Ho

Ho1 Cu1 Hg2

3

[ 1, 1, 1 ]

3

[ [ 4.47742136, 0, 0 ], [ 0, 4.42451542, 0 ], [ 0, 0, 4.42451542 ] ]

agm001203520

[ [ 0, 0, 2.21225771 ], [ 0, 2.21225771, 0 ], [ 2.23871068, 0, 0 ], [ 2.23871068, 2.21225771, 2.21225771 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Hg", "Hg", "Cu", "Ho" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -1.823024, 0, 0 ], [ 0, -1.9306862, 0 ], [ 0, 0, -1.9306862 ] ]

-9.866473

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000005

3.038491

pbe

true

80b514aa25daa624956de9e6c8ae40a0_123_Ho1Cu1Hg2

[ "B", "Bi", "Cs", "Cu" ]

5

A2BCD

BBiCsCu2

Cs1 Cu2 Bi1 B1

4

[ 1, 1, 1 ]

3

[ [ 4.50829181, 0, 0 ], [ 0, 5.61165576, 0 ], [ 0, 0, 4.50829181 ] ]

agm001431290

[ [ 0, 2.80582788, 0 ], [ 0, 0, 0 ], [ 2.254145905, 2.80582788, 2.254145905 ], [ 0, 0, 2.254145905 ], [ 2.254145905, 0, 0 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "B", "Bi", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -3.9108512, 0, 0 ], [ 0, -2.7616198, 0 ], [ 0, 0, -3.9108512 ] ]

-14.308111

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000001

4.366038

pbe

true

c95fd9712b6f6f6f40ee257bd0ab09ae_123_Cs1Cu2Bi1B1

[ "C", "N", "O", "P" ]

82

A31B5C3D2

C31N3O5P2

C62 N6 O10 P4

4

[ 1, 1, 1 ]

3

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mp-1196097

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2019-01-12 01:20:06

[ 0.7560975609756098, 0.07317073170731707, 0.12195121951219512, 0.04878048780487805 ]

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-606.55458

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5.664

-1.56038

pbe

true

c8b9f32ed23878791cc57981bd53f8a8_2_P4C62N6O10

[ "Eu", "Nd", "Pd" ]

4

A2BC

Eu2NdPd

Nd1 Eu2 Pd1

3

[ 1, 1, 1 ]

3

[ [ 3.66655448, 0, 0 ], [ 0, 3.66655448, 0 ], [ 0, 0, 9.21293559 ] ]

agm001149034

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[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Eu", "Eu", "Nd", "Pd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.3314483, 0, 0 ], [ 0, 3.3314483, 0 ], [ 0, 0, 2.200772 ] ]

-31.649833

[ 6.847, 6.847, 0.019, -0.051 ]

[ [ 0, 0, 0.00680012 ], [ 0, 0, -0.00680012 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

14.261537

16.835901

pbe

true

feb5febf87efcc9c44f94bc13a2c13b7_123_Nd1Eu2Pd1

[ "As", "La", "Pm" ]

8

A4B3C

As4LaPm3

La1 Pm3 As4

3

[ 1, 1, 1 ]

3

[ [ 4.27625004, 0, 0 ], [ 0, 7.39895883, -0.0690633 ], [ 0, -2.39826065, 6.99983624 ] ]

agm003560489

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]

[ "La", "Pm", "Pm", "Pm", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.5, 0.125, 0.375 ]

[ [ 0.6770569, 0, 0 ], [ 0, 0.85627365, 0.05066495 ], [ 0, 0.05066495, 0.8899375 ] ]

-50.065363

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00139731, -0.00193662 ], [ 0, 0.00060336, -0.00043534 ], [ 0, 0.00139731, 0.00193662 ], [ 0, -0.00060336, 0.00043534 ] ]

0

0.745295

pbe

true

eeefd54919fe9ef0d80aa8c90062ae69_65_La1Pm3As4

[ "As", "O", "Rh" ]

8

A2BC

AsORh2

As2 Rh4 O2

3

[ 1, 1, 1 ]

3

[ [ 4.63666732, 0, 0 ], [ 0, 4.63666732, 0 ], [ 2.31833366, 2.31833366, 5.98729605 ] ]

agm002870924

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "As", "As", "Rh", "Rh", "Rh", "Rh", "O", "O" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.0673214, 0, 0 ], [ 0, 1.0673214, 0 ], [ 0, 0, -0.34893233 ] ]

-50.1042

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00214118, 0, 0 ], [ -0.00214118, 0, 0 ], [ 0, -0.00214118, 0 ], [ 0, 0.00214118, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

4.399282

pbe

true

92af47ad5aeb063246203905df77f30e_122_As2Rh4O2

[ "Au", "Li", "W" ]

4

A2BC

AuLiW2

Li1 W2 Au1

3

[ 1, 1, 1 ]

3

[ [ 5.17999368, 0.00212679, -0.00121113 ], [ 4.36660193, 2.78659768, -0.00121113 ], [ 0.77517397, 0.22644162, 4.41645714 ] ]

agm004362910

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[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Au", "Li", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 4.2623043, -0.08721723, -0.20591405 ], [ -0.08721723, 4.535396, -0.06015103 ], [ -0.20591387, -0.06015098, 5.4404464 ] ]

-29.91593

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0004307, 0.00012581, -0.00084836 ], [ -0.0004307, -0.00012581, 0.00084836 ] ]

-0.000011

2.397656

pbe

true

5afa6c0d87d0a60798b0b79655512044_12_Li1W2Au1

[ "Bi", "Hg", "Tl" ]

8

A6BC

BiHg6Tl

Tl1 Hg6 Bi1

3

[ 1, 1, 1 ]

3

[ [ 5.53722727, -0.24451976, 1.12891789 ], [ 2.08775652, 5.37456018, 1.67238735 ], [ 0.30834889, 0.93633793, 7.68565663 ] ]

agm005751280

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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]

[ "Tl", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Bi" ]

2023-11-16 06:57:59

[ 0.125, 0.75, 0.125 ]

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-7.808682

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

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0

2.541488

pbe

true

772aa940a5736a75f76b044655092d0c_2_Tl1Hg6Bi1

[ "Cd", "Ho", "Pd" ]

7

A3B2C2

Cd2Ho2Pd3

Ho2 Cd2 Pd3

3

[ 1, 1, 1 ]

3

[ [ 4.11844127, 0, 0 ], [ 0, 6.39024638, -0.23516347 ], [ -2.05922064, -2.28219622, 5.95740947 ] ]

agm003304875

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Ho", "Ho", "Cd", "Cd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.2857142857142857, 0.42857142857142855 ]

[ [ 5.3313904, 0, 0 ], [ 0, 5.360625, 0.03594898 ], [ 0, 0.03594893, 5.3749166 ] ]

-30.551255

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.00203574, 0.00073422 ], [ 0, -0.00203574, -0.00073422 ], [ 0, -0.00100843, -0.00213281 ], [ 0, 0.00100843, 0.00213281 ], [ 0, 0, 0 ], [ 0, -0.00547429, -0.0000726 ], [ 0, 0.00547429, 0.0000726 ] ]

-0

3.29098

pbe

true

d8ee1846f4e4ccc92f6e90b960deea33_12_Ho2Cd2Pd3

[ "Cu", "Re", "Si" ]

4

A2BC

Cu2ReSi

Cu2 Re1 Si1

3

[ 1, 1, 1 ]

3

[ [ 3.0402064, 0, 0 ], [ 0, 3.03956952, 0 ], [ 0, 0, 5.55932969 ] ]

agm004358296

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[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Cu", "Cu", "Re", "Si" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -5.8354692, 0, 0 ], [ 0, -5.664232, 0 ], [ 0, 0, -6.4056554 ] ]

-25.692831

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.02538033 ], [ 0, 0, -0.01717736 ], [ 0, 0, -0.00521218 ], [ 0, 0, -0.0029908 ] ]

0.000001

1.864111

pbe

true

87d523c5e6c260def7a52bbcf07f3dbf_99_Cu2Re1Si1

[ "Eu", "Ga", "S" ]

8

A2BC

EuGaS2

Eu2 Ga2 S4

3

[ 1, 1, 1 ]

3

[ [ 4.05435341, 0, 0 ], [ -2.02717671, 3.51117305, 0 ], [ 0, 0, 13.73549076 ] ]

agm002311670

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Eu", "Eu", "S", "S", "S", "S", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.8954326, 0, 0 ], [ 0, 0.8954326, 0 ], [ 0, 0, 0.9375792 ] ]

-51.676142

[ 6.561, 6.561, -0.109, -0.109, -0.109, -0.109, -0.052, -0.052 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00249856 ], [ 0, 0, -0.00249856 ], [ 0, 0, 0.00249856 ], [ 0, 0, 0.00249856 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

12.6099

12.558824

pbe

true

95f35f907c87494d4f6505af0c4ac060_194_Eu2Ga2S4

[ "Ge", "Nd", "Pm" ]

4

A2BC

GeNdPm2

Pm2 Nd1 Ge1

3

[ 1, 1, 1 ]

3

[ [ 3.71176156, 0, 0 ], [ 1.85588078, 3.21447981, 0 ], [ 1.85588078, 1.07149327, 11.12673661 ] ]

agm001926587

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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Ge", "Nd", "Pm", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.8885467, 0, 0 ], [ 0, 0.8885467, 0 ], [ 0, 0, 0.6464282 ] ]

-19.111244

[ -0.003, 0.053, 0.011, 0.011 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00243662 ], [ 0, 0, 0.00243662 ] ]

0.16462

6.574369

pbe

true

753ddf2102a3eacd42c04e7ab75daa18_166_Pm2Nd1Ge1

[ "Nd", "Tm", "Y" ]

4

A2BC

NdTmY2

Nd1 Y2 Tm1

3

[ 1, 1, 1 ]

3

[ [ 3.5066964, 0.02107994, 1.04472022 ], [ 0.83454609, 5.7357232, 3.48671044 ], [ -0.10560292, 0.43259577, 6.74935485 ] ]

agm005584897

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[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Nd", "Y", "Y", "Tm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.8620605, 0.02580779, 0.07731834 ], [ 0.0258054, 1.6584529, -0.12394801 ], [ 0.07731445, -0.12394732, 1.5600955 ] ]

-22.129533

[ 0, 0, 0, 0 ]

[ [ 0.00019161, 0.00108084, -0.00066497 ], [ 0.00263472, -0.00300758, 0.0012987 ], [ -0.00347452, -0.00172951, 0.0016157 ], [ 0.00064819, 0.00365624, -0.00224943 ] ]

0.000155

6.92503

pbe

true

4fdca57f7eb18a59094da63424b967a5_44_Nd1Y2Tm1

[ "Pt", "Sn", "Tl" ]

3

ABC

PtSnTl

Tl1 Sn1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 4.6820276, 0, 0 ], [ 2.3410138, 4.05475484, 0 ], [ 2.3410138, 1.35158495, 3.82285953 ] ]

agm002382992

[ [ 0, 0, 0 ], [ 4.6820276, 2.7031698950000003, 1.911429765 ], [ 2.3410138, 1.3515849475000001, 0.9557148825 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Tl", "Sn", "Pt" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.496789, 0, 0 ], [ 0, 5.496789, 0 ], [ 0, 0, 5.496789 ] ]

-13.212317

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.021035

pbe

true

033a184f7b95b5ddafedc033bdb99ac5_216_Tl1Sn1Pt1

[ "Bi", "Sc", "Sm", "Th" ]

8

A4B2CD

Bi4ScSmTh2

Sm1 Th2 Sc1 Bi4

4

[ 1, 1, 1 ]

3

[ [ 4.53046383, 0, 0 ], [ 0, 7.83885801, 0.12789358 ], [ 0, -2.74542522, 7.27225159 ] ]

agm004841742

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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Sm", "Th", "Th", "Sc", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.125, 0.125, 0.25 ]

[ [ 0.7253079, 0, 0 ], [ 0, 0.69174296, 0.02309479 ], [ 0, 0.02309481, 0.69343317 ] ]

-46.732149

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00182171, 0.0029714 ], [ 0, 0.00182171, -0.0029714 ], [ 0, 0.00223782, 0.00145998 ], [ 0, -0.00223782, -0.00145998 ] ]

-0.000027

4.650775

pbe

true

276e1d22b820dbfb1f42eb8b04b2e946_10_Sm1Th2Sc1Bi4

[ "O", "P", "Sc", "V" ]

5

A2BCD

O2PScV

Sc1 V1 P1 O2

4

[ 1, 1, 1 ]

3

[ [ 3.94235788, 0, 0 ], [ 0, 3.94235788, 0 ], [ 0, 0, 5.54594696 ] ]

agm001755068

[ [ 0, 0, 0 ], [ 0, 0, 2.77297348 ], [ 0, 1.97117894, 0 ], [ 1.97117894, 0, 0 ], [ 1.97117894, 1.97117894, 2.77297348 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Sc", "P", "O", "O", "V" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.3249449, 0, 0 ], [ 0, 0.3249449, 0 ], [ 0, 0, 1.1744925 ] ]

-33.517871

[ 0.005, -0.331, -0.376, -0.376, 2.613 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.307767

4.096552

pbe

true

3bf5a34d892b8c4d93b99de64ea41e15_123_Sc1V1P1O2

[ "Ge", "Te" ]

14

A9B5

Ge9Te5

Ge9 Te5

2

[ 1, 1, 1 ]

3

[ [ 9.88727257, -8.2e-7, 0 ], [ -4.94362757, 8.56262534, 0 ], [ 0, 0, 17.29729139 ] ]

agm2000119845

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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.6428571428571429, 0.35714285714285715 ]

[ [ 0.40852895, 3.8e-7, 0 ], [ 3.8e-7, 0.40852854, 0 ], [ 0, 0, -0.08014026 ] ]

-52.791873

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-0

5.319665

pbe

true

9b124699ee5eeb5e0ee607a339789821_157_Ge9Te5

[ "As", "Er", "Ho", "Os", "Y" ]

9

A3B2C2DE

As2ErHo2OsY3

As2 Er1 Ho2 Os1 Y3

5

[ 1, 1, 1 ]

3

[ [ 4.151494618, 0, 0 ], [ 0, 6.808329662, 3.938541045 ], [ 0, -6.808329662, 3.938541045 ] ]

oqmd-9873569

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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "As", "As", "Er", "Ho", "Ho", "Os", "Y", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.2222222222222222, 0.1111111111111111, 0.2222222222222222, 0.1111111111111111, 0.3333333333333333 ]

[ [ 6.7675904, 0, 0 ], [ 0, 4.16719824, 0 ], [ 0, 0, 4.34348211 ] ]

-60.5176

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[ [ 0, -0.002557, -0.004166 ], [ 0, 0.002557, -0.004166 ], [ 0, 0, -0.023645 ], [ 0, 0.013846, 0.013993 ], [ 0, -0.013846, 0.013993 ], [ 0, 0, -0.012352 ], [ 0, 0, 0.013202 ], [ 0, 0.010698, 0.001571 ], [ 0, -0.010698, 0.001571 ] ]

0.065281

null

pbe

true

b83594bb560a612fd3d8787161324aed_38_Y3Ho2Er1As2Os1

[ "B", "Cu" ]

3

A2B

B2Cu

Cu1 B2

2

[ 1, 1, 1 ]

3

[ [ 2.98015308, 0, 0 ], [ -1.49007654, 2.58088832, 0 ], [ 0, 0, 3.39395642 ] ]

agm006140423

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[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Cu", "B", "B" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ -6.191172, 0, 0 ], [ 0, -6.1911726, 0 ], [ 0, 0, -6.477057 ] ]

-16.347861

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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000048

1.461013

pbe

true

baa2f22aed65a0b7cd549794f383fccd_191_Cu1B2

[ "Cr", "Ta" ]

16

A5B3

Cr3Ta5

Ta10 Cr6

2

[ 1, 1, 1 ]

3

[ [ 7.45695436, 0, 0 ], [ 3.72847718, 6.45791191, 0 ], [ 0, 0, 5.35813508 ] ]

agm005521690

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[ "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta" ]

2023-11-16 06:57:59

[ 0.375, 0.625 ]

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0.000452

20.62928

pbe

true

0c7a788031a25cf8506871d8a7ef1b0a_193_Ta10Cr6

[ "Cu", "Fe" ]

12

A2B

Cu2Fe

Fe4 Cu8

2

[ 1, 1, 1 ]

3

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agm005509357

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[ "Fe", "Fe", "Fe", "Fe", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

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10.614985

7.783962

pbe

true

87f215988d2866c6ae4322666c716640_62_Fe4Cu8

[ "Ag", "Au", "Tl" ]

10

A2B2C

Ag2Au2Tl

Tl2 Ag4 Au4

3

[ 1, 1, 1 ]

3

[ [ 8.33232395, 0, 0 ], [ 0, 8.33232395, 0 ], [ 0, 0, 2.99293868 ] ]

agm002952145

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Tl", "Tl", "Au", "Au", "Au", "Au", "Ag", "Ag", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

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0

2.891005

pbe

true

02f94be03b08c7b45557fc1fd1cd7108_127_Tl2Ag4Au4

[ "Ir", "Nd", "Sn" ]

6

A3B2C

Ir2NdSn3

Nd1 Sn3 Ir2

3

[ 1, 1, 1 ]

3

[ [ 4.19092623, 0, 0 ], [ 0, 6.0672265, 0 ], [ 0, 3.03361324, 5.25437227 ] ]

agm002320579

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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]

[ "Ir", "Ir", "Nd", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

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0.000001

2.362402

pbe

true

752781a8dd4cd83a54b9b2fe8da00614_191_Nd1Sn3Ir2

[ "Ca", "Cd", "Cs", "Tl" ]

18

A12B3C2D

CaCd3Cs2Tl12

Cs2 Ca1 Tl12 Cd3

4

[ 1, 1, 1 ]

3

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agm004499206

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Ca", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.05555555555555555, 0.16666666666666666, 0.1111111111111111, 0.6666666666666666 ]

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-0.000005

8.926053

pbe

true

0442e185934fe65dc1fe2a2805490fb2_166_Cs2Ca1Tl12Cd3

[ "Al", "Ce", "Pm" ]

9

A6B2C

Al6Ce2Pm

Ce2 Pm1 Al6

3

[ 1, 1, 1 ]

3

[ [ 3.5852658, 0, 0 ], [ 0, 6.9286344, -4.00024047 ], [ 0, -0.00000764, 8.00049429 ] ]

agm005625444

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Ce", "Ce", "Pm", "Al", "Al", "Al", "Al", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.2222222222222222, 0.1111111111111111 ]

[ [ 1.6203022, 0, 0 ], [ 0, 1.2899581, 1e-8 ], [ 0, 1e-8, 1.2899584 ] ]

-42.980043

[ 0.531, 0.531, -0.004, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001 ]

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1.210011

9.923926

pbe

true

64b3446a8d60ced7846db7a2c0f0b039_191_Ce2Pm1Al6

[ "Cd", "F", "Li", "Sc" ]

18

A6BCD

CdF6LiSc

Li2 Sc2 Cd2 F12

4

[ 1, 1, 1 ]

3

[ [ 5.31057645, 0, 0 ], [ -2.65528823, 4.59909412, 0 ], [ 0, 0, 9.7211151 ] ]

agm005086257

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Li", "Li", "Sc", "Sc", "Cd", "Cd", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]

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-0

0

pbe

true

1b0c84d0bcec1b60bad59358f15af70f_163_Li2Sc2Cd2F12

[ "F", "Na", "Th", "Yb" ]

12

A8B2CD

F8Na2ThYb

Na2 Yb1 Th1 F8

4

[ 1, 1, 1 ]

3

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agm002271151

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[ "Na", "Na", "Yb", "Th", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.08333333333333333, 0.08333333333333333 ]

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0

pbe

true

0a69edcc190fa0be6a5dbf543a0b7798_119_Na2Yb1Th1F8

[ "Er", "Ho", "Tm" ]

11

A7B3C

ErHo3Tm7

Ho3 Er1 Tm7

3

[ 1, 1, 1 ]

3

[ [ 8.23042026, -0.74922749, -2.80769518 ], [ -2.19260854, 9.55288181, -0.60761446 ], [ -1.84399032, -0.09818153, 5.09943874 ] ]

agm005981405

[ [ -1.706730153155115, 9.309481519059222, 2.4483480716656456 ], [ -1.09630427, 4.776440905, -0.30380723 ], [ 5.900551553155116, -0.6040087290592207, -0.7642189716656451 ], [ 2.0969107000000005, 4.352736395, 0.8420645499999999 ], [ 4.016187360517095, 7.160977049377853, 1.5896988086143535 ], [ 4.7575916218113585, 5.469476661328917, -1.0586449939132936 ], [ 4.399234974430014, 2.281322265584242, -1.2505396128323922 ], [ -0.2054135744300134, 6.424150524415758, 2.9346687128323925 ], [ 3.1932149700000005, -0.42370451, 1.14587178 ], [ -0.5637702218113582, 3.2359961286710837, 2.742774093913293 ], [ 0.17763403948290518, 1.544495740622148, 0.09443029138564654 ] ]

[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Ho", "Ho", "Ho", "Er", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm" ]

2023-11-16 06:57:59

[ 0.09090909090909091, 0.2727272727272727, 0.6363636363636364 ]

[ [ 3.056681, -0.09171294, 0.04102392 ], [ -0.09171282, 2.9194307, 0.00143641 ], [ 0.04102391, 0.0014365, 2.8862884 ] ]

-47.803058

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00523266, -0.00049988, -0.00264111 ], [ 0, 0, 0 ], [ 0.00523266, 0.00049988, 0.00264111 ], [ 0, 0, 0 ], [ -0.00178896, -0.00076726, 0.00040222 ], [ -0.00195334, 0.00326537, 0.00074237 ], [ -0.0001406, 0.00168289, 0.00157033 ], [ 0.0001406, -0.00168289, -0.00157033 ], [ 0, 0, 0 ], [ 0.00195334, -0.00326537, -0.00074237 ], [ 0.00178896, 0.00076726, -0.00040222 ] ]

-0.002151

19.432474

pbe

true

5c30a32e7b42bd619e67a82360e6d0f7_10_Ho3Er1Tm7

[ "Ga", "Os", "Pr" ]

4

A2BC

Ga2OsPr

Pr1 Ga2 Os1

3

[ 1, 1, 1 ]

3

[ [ 4.28105441, 0, 0 ], [ 2.14052721, 3.70750187, 0 ], [ 2.14052721, 1.23583396, 5.19720372 ] ]

agm001953090

[ [ 4.281054415, 2.4716679150000003, 2.59860186 ], [ 0, 0, 0 ], [ 2.1405293476466962, 1.2358351929534461, 0.7060239620584308 ], [ 6.4215794823533034, 3.7075006370465537, 4.491179757941569 ] ]

[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Pr", "Os", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.465171, 0, 0 ], [ 0, 3.465171, 0 ], [ 0, 0, 3.306774 ] ]

-23.441807

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00369916 ], [ 0, 0, 0.00369916 ] ]

-0

1.604331

pbe

true

da9834af04e36a236e29515c396dc33d_166_Pr1Ga2Os1

[ "Hf", "Si", "Sn" ]

7

A4B2C

Hf4SiSn2

Hf4 Si1 Sn2

3

[ 1, 1, 1 ]

3

[ [ 4.73600556, 0, 0 ], [ 0, 4.73600556, 0 ], [ 2.36800278, 2.36800278, 7.54504192 ] ]

agm001077690

[ [ 0, 0, 0 ], [ 2.36800278, 2.36800278, 5.040097056610303 ], [ 4.73600556, 4.73600556, 2.504944863389696 ], [ 0, 2.36800278, 0 ], [ 2.36800278, 0, 0 ], [ 2.368002756319972, 2.368002756319972, 2.1126454639373824 ], [ 4.736005583680027, 4.736005583680027, 5.432396456062618 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Si", "Hf", "Hf", "Hf", "Hf", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.5714285714285714, 0.14285714285714285, 0.2857142857142857 ]

[ [ 3.3960054, 0, 0 ], [ 0, 3.3960054, 0 ], [ 0, 0, 3.3570805 ] ]

-52.975648

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00405892 ], [ 0, 0, -0.00405892 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00564643 ], [ 0, 0, -0.00564643 ] ]

0

5.161917

pbe

true

43a7b0e7889064fb8cb132000fc0f066_139_Hf4Si1Sn2

[ "B", "Rh", "Tm" ]

8

A5B2C

B2Rh5Tm

Tm1 B2 Rh5

3

[ 1, 1, 1 ]

3

[ [ 3.83322773, 0, 0 ], [ 1.91661387, 5.65631045, 0.9451021 ], [ 1.91661387, 1.96821587, 5.38638953 ] ]

agm003475718

[ [ 0, 0, 0 ], [ 5.749841602108823, 5.4201408830174, 4.500945395680065 ], [ 1.9166138678911766, 2.2043854369826006, 1.8305462343199346 ], [ 1.91661387, 3.81226316, 3.1657458149999997 ], [ 3.8332277526646843, 3.5090406768905353, 1.2016692722227953 ], [ 3.8332277173353155, 4.115485643109465, 5.129822357777204 ], [ 3.8332277173353155, 5.7986161663707065, 3.1029582755633807 ], [ 3.8332277526646843, 1.825910153629293, 3.228533354436619 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Tm", "B", "B", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.25, 0.625, 0.125 ]

[ [ 7.383515, 1e-8, 1e-8 ], [ 1e-8, 7.862851, -0.04883965 ], [ 1e-8, -0.04883965, 7.881108 ] ]

-58.468258

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, -0.00091356, -0.00075863 ], [ 0, 0.00091356, 0.00075863 ], [ 0, 0, 0 ], [ 0, -0.00644057, 0.00376283 ], [ 0, 0.00644057, -0.00376283 ], [ 0, -0.00251549, 0.00702226 ], [ 0, 0.00251549, -0.00702226 ] ]

-0.000047

6.169806

pbe

true

604924e412a8dc4a4fa8b0ef4ed247a5_71_Tm1B2Rh5

[ "Ni", "Si", "Ta" ]

6

ABC

NiSiTa

Ni1 Si1 Ta1

3

[ 1, 1, 1 ]

3

[ [ 4.028118698, 0, 0 ], [ -2.014059349, 3.488453122, 0 ], [ 0, 0, 5.898833368 ] ]

oqmd-5762731

[ [ -1.2079345144210192e-17, 2.3256400000000004, 0.2523699999999999 ], [ 2.01406, 1.1628200000000002, 3.2017899999999995 ], [ -1.2079345144210192e-17, 2.3256400000000004, 2.7874799999999995 ], [ 2.01406, 1.1628200000000002, 5.7369 ], [ 0, 0, 1.3842699999999997 ], [ 0, 0, 4.33369 ] ]

[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]

[ "Ni", "Ni", "Si", "Si", "Ta", "Ta" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 23.44089337, 0, 0 ], [ 0, 23.44089337, 0 ], [ 0, 0, 21.79754217 ] ]

-48.8398

[ 0, 0, 0, 0, 0.001, 0 ]

[ [ 0, 0, 0.018669 ], [ 0, 0, 0.018669 ], [ 0, 0, 0.00661 ], [ 0, 0, 0.00661 ], [ 0, 0, -0.025279 ], [ 0, 0, -0.025279 ] ]

0.005464

null

pbe

true

3bfef19b85a60c7284ef7f3713212130_186_Ta2Si2Ni2

[ "Bi", "Hf", "Pm" ]

4

A2BC

Bi2HfPm

Pm1 Hf1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 3.67945099, 0, 0 ], [ 0, 3.67945099, 0 ], [ 0, 0, 8.04876961 ] ]

agm001157915

[ [ 1.839725495, 1.839725495, 0 ], [ 0, 0, 6.245797166205429 ], [ 0, 0, 1.8029724437945718 ], [ 1.839725495, 1.839725495, 4.024384805 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Hf", "Bi", "Bi", "Pm" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.0580547, 0, 0 ], [ 0, 1.0580547, 0 ], [ 0, 0, 1.1053703 ] ]

-23.664391

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.0001871 ], [ 0, 0, 0.0001871 ], [ 0, 0, 0 ] ]

0.001023

4.495947

pbe

true

4edc0ba8a255c0e41f4cc27b2e4d39c5_123_Pm1Hf1Bi2

[ "Al", "Hf", "Sc" ]

4

A2BC

Al2HfSc

Hf1 Sc1 Al2

3

[ 1, 1, 1 ]

3

[ [ 3.43018722, 0, 0 ], [ 0, 3.43018722, 0 ], [ 0, 0, 6.46604904 ] ]

agm001145487

[ [ 1.71509361, 1.71509361, 0 ], [ 1.71509361, 1.71509361, 3.23302452 ], [ 0, 0, 4.819488080203763 ], [ 0, 0, 1.6465609597962358 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Sc", "Hf", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.139633, 0, 0 ], [ 0, 3.139633, 0 ], [ 0, 0, 2.7436407 ] ]

-25.06996

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00185952 ], [ 0, 0, 0.00185952 ] ]

-0.000043

2.785107

pbe

true

935520630414086107a47e71645d3baa_123_Hf1Sc1Al2

[ "As", "Au", "Tl" ]

4

A2BC

AsAu2Tl

Tl1 As1 Au2

3

[ 1, 1, 1 ]

3

[ [ 4.00622814, 0, 0 ], [ 2.00311407, 3.46949534, 0 ], [ 2.00311407, 1.15649845, 6.67790178 ] ]

agm005118937

[ [ 4.0062281600311405, 2.312996906588624, 3.3863096345175103 ], [ 6.009340226917071, 3.469494198387752, 6.653623266393543 ], [ 2.003114090031141, 1.1564984608484414, 5.242400513898002 ], [ 2.00311407, 1.1564984473716855, 1.4124143572891639 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]

[ "Tl", "As", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.247821, 0, 0 ], [ 0, 4.247821, 0 ], [ 0, 0, 3.88424 ] ]

-13.132341

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00062402 ], [ 0, 0, 0.00205476 ], [ 0, 0, -0.00293507 ], [ 0, 0, 0.00025629 ] ]

0

2.079431

pbe

true

5701a922f532ec37fda7445e16815ad4_160_Tl1As1Au2

[ "As", "Be", "Te" ]

4

A2BC

As2BeTe

Be1 Te1 As2

3

[ 1, 1, 1 ]

3

[ [ 3.10065301, 0, 0 ], [ 0, 3.10065301, 0 ], [ 0, 0, 9.17379806 ] ]

agm004295457

[ [ 1.550326505, 1.550326505, 2.293449515 ], [ 0, 0, 1.0411081047669484 ], [ 0, 0, 3.5457909252330513 ], [ 1.550326505, 1.550326505, 6.8803485449999995 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Be", "As", "As", "Te" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.00994182, 0, 0 ], [ 0, 0.00994182, 0 ], [ 0, 0, 0.1547819 ] ]

-15.18891

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00001143 ], [ 0, 0, -0.00001143 ], [ 0, 0, 0 ] ]

-0.000024

1.809476

pbe

true

bf1b36dbffd73e3e42c50aef7880b78a_123_Be1Te1As2

[ "Al", "Be", "F", "Os" ]

5

A2BCD

AlBeF2Os

Be1 Al1 Os1 F2

4

[ 1, 1, 1 ]

3

[ [ 3.36142006, 0, 0 ], [ 0, 7.12020348, 0 ], [ 0, 0, 3.36142006 ] ]

agm001589595

[ [ 0, 0, 0 ], [ 0, 3.56010174, 0 ], [ 1.68071003, 3.56010174, 1.68071003 ], [ 0, 0, 1.68071003 ], [ 1.68071003, 0, 0 ] ]

[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]

[ "Be", "Os", "Al", "F", "F" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 1.1900287, 0, 0 ], [ 0, 2.7953532, 0 ], [ 0, 0, 1.1900287 ] ]

-27.473199

[ 0.001, 0.902, -0.022, 0.007, 0.003 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.011518

1.903142

pbe

true

45939871e6da28a598b04e7886692f97_123_Be1Al1Os1F2

[ "K", "Nb", "S", "Si" ]

5

A2BCD

KNbSSi2

K1 Nb1 Si2 S1

4

[ 1, 1, 1 ]

3

[ [ 4.68986424, 0, 0 ], [ 0, 5.17714569, 0 ], [ 0, 0, 4.68986424 ] ]

agm001509667

[ [ 0, 0, 0 ], [ 2.34493212, 2.588572845, 2.34493212 ], [ 0, 0, 2.34493212 ], [ 2.34493212, 0, 0 ], [ 0, 2.588572845, 0 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "S", "Nb", "Si", "Si", "K" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 2.4332755, 0, 0 ], [ 0, -4.649065, 0 ], [ 0, 0, 2.4332755 ] ]

-20.597696

[ -0.034, 2.156, -0.051, -0.084, 0.031 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.358277

5.566241

pbe

true

cc01f88142066a3f675b455523cba694_123_K1Nb1Si2S1

[ "Ag", "Eu", "Sc", "Te" ]

12

A3BCD

AgEuScTe3

Ag1 Eu1 Sc1 Te3

4

[ 1, 1, 1 ]

3

[ [ 7.144336, -2.140251, 0 ], [ 7.144336, 2.140251, 0 ], [ 0, 0, 11.050762 ] ]

oqmd-4652661

[ [ 7.62752, -0.00000999999999846181, 2.7626799999999996 ], [ 6.661159999999998, -0.000010000000000520084, 8.288079999999997 ], [ 3.362349999999999, -0.000010000000000556332, 2.7626799999999996 ], [ 10.92633, -0.000009999999998366156, 8.288079999999997 ], [ 0, 0, 0 ], [ 0, 0, 5.525380000000004 ], [ 9.18162, -0.000010000000000477356, 0.4999499999999995 ], [ 12.993010000000004, -0.000010000000000576935, 2.7626799999999996 ], [ 9.18162, -0.000010000000000477356, 5.0254299999999965 ], [ 5.107059999999999, -0.000009999999998393516, 6.02533 ], [ 1.29567, -0.000010000000000131643, 8.288079999999997 ], [ 5.107059999999999, -0.000009999999998393516, 10.55081 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Ag", "Ag", "Eu", "Eu", "Sc", "Sc", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 4.48378, 0, 0 ], [ 0, 5.02903, 0 ], [ 0, 0, 5.51611 ] ]

-54.4318

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.037181, 0, 0 ], [ 0.037181, 0, 0 ], [ -0.016279, -0.000017, 0 ], [ 0.016279, -0.000017, 0 ], [ 0, -0.000022, 0 ], [ 0, -0.000022, 0 ], [ -0.002129, 0.000017, 0.016549 ], [ -0.00738, 0.000005, 0 ], [ -0.002129, 0.000017, -0.016549 ], [ 0.002129, 0.000017, 0.016549 ], [ 0.00738, 0.000005, 0 ], [ 0.002129, 0.000017, -0.016549 ] ]

-0.004007

null

pbe

false

69df507fa7e649757419358678ab3120_63_Eu2Sc2Ag2Te6

[ "Al", "Be", "Pd", "Tl" ]

4

ABCD

AlBePdTl

Al1 Be1 Pd1 Tl1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.218577, 3.218577 ], [ 3.218577, 0, 3.218577 ], [ 3.218577, 3.218577, 0 ] ]

oqmd-2956927

[ [ 0, 0, 0 ], [ 4.827869999999997, 4.827869999999997, 4.827869999999997 ], [ 1.6092899999999992, 1.6092899999999992, 1.6092899999999992 ], [ 3.2185799999999984, 3.2185799999999984, 3.2185799999999984 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "Al", "Be", "Pd", "Tl" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 7.57373, 0, 0 ], [ 0, 7.57373, 0 ], [ 0, 0, 7.57373 ] ]

-14.0033

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

true

a50985c39038fa5d418a1ddf07cdbb45_216_Be1Al1Tl1Pd1

[ "Al", "Fe", "Nd", "S" ]

24

A7B3CD

AlFeNd3S7

Al1 Fe1 Nd3 S7

4

[ 1, 1, 1 ]

3

[ [ 10.013566, 0.034222, 0 ], [ -4.977118, 8.646356, 0 ], [ 0, 0, 6.05083 ] ]

oqmd-2027442

[ [ 5.031610000000002, 2.898489999999998, 0.972620000000001 ], [ 0.00483000000000349, 5.78209, 3.9980299999999978 ], [ -0.0021125638880984013, 0.003669991237749023, 0.1998000000000002 ], [ -4.975007738045367, 8.642690007730375, 3.22522 ], [ 2.408369999999997, 6.655160000000001, 1.4450299999999994 ], [ -1.9626499999999991, 7.432469999999996, 1.4492199999999973 ], [ -0.42985999999999475, 3.2346399999999997, 1.4506999999999977 ], [ 2.6280799999999997, 2.0254200000000004, 4.470440000000002 ], [ 6.999100000000001, 1.2481099999999965, 4.474640000000002 ], [ 5.466310000000001, 5.445940000000002, 4.476109999999999 ], [ 6.954170000000001, 3.6585900000000016, 0.06518000000000002 ], [ 4.718919999999996, 0.85005, 0.07132999999999999 ], [ 3.4122799999999964, 4.191159999999998, 0.0730500000000002 ], [ 0.002169999999996992, 5.768590000000003, 0.16973000000000008 ], [ 8.13644, 0.8071399999999995, 1.791710000000002 ], [ 5.272510000000004, 6.662559999999996, 1.7943099999999983 ], [ 1.6475199999999988, 1.2564099999999967, 1.7960700000000027 ], [ -1.9177200000000003, 5.02199, 3.0906 ], [ 0.3175200000000004, 7.830529999999997, 3.0967499999999997 ], [ 1.6241700000000008, 4.489410000000004, 3.098459999999998 ], [ 5.0342699999999985, 2.911989999999996, 3.195139999999999 ], [ -3.0999900000000027, 7.873439999999999, 4.817119999999998 ], [ -0.23605999999999827, 2.0180199999999964, 4.819720000000001 ], [ 3.388930000000003, 7.424169999999997, 4.821490000000002 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]

[ "Al", "Al", "Fe", "Fe", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2024-11-01 00:00:00

[ 0.08333333333333333, 0.08333333333333333, 0.25, 0.5833333333333334 ]

[ [ 4.41851, 0.6056, 0 ], [ 0.6056, 4.27404, 0 ], [ 0, 0, 2.64086 ] ]

-148.088

[ 0, 0, 3.303, 3.348, 0.015, 0.011, 0.011, 0.015, 0.011, 0.012, 0.01, 0.009, 0.01, 0.003, 0.103, 0.104, 0.09, 0.009, 0.009, 0.01, 0.004, 0.103, 0.104, 0.089 ]

[ [ -0.004736, 0.000222, -0.024867 ], [ 0.004736, -0.000222, -0.024867 ], [ -0.001302, -0.003949, 0.025181 ], [ 0.001302, 0.003949, 0.025181 ], [ -0.003473, 0.012724, -0.009989 ], [ -0.002983, -0.008901, -0.00731 ], [ 0.026963, 0.005551, -0.008433 ], [ 0.003473, -0.012724, -0.009989 ], [ 0.002983, 0.008901, -0.00731 ], [ -0.026963, -0.005551, -0.008433 ], [ -0.037241, 0.012307, 0.017657 ], [ 0.016424, 0.02888, 0.011487 ], [ 0.003907, -0.031728, 0.013766 ], [ 0.009809, 0.004505, -0.040285 ], [ 0.005405, -0.002627, 0.002547 ], [ -0.030158, -0.000637, 0.009309 ], [ 0.011584, -0.011178, 0.010936 ], [ 0.037241, -0.012307, 0.017657 ], [ -0.016424, -0.02888, 0.011487 ], [ -0.003907, 0.031728, 0.013766 ], [ -0.009809, -0.004505, -0.040285 ], [ -0.005405, 0.002627, 0.002547 ], [ 0.030158, 0.000637, 0.009309 ], [ -0.011584, 0.011178, 0.010936 ] ]

8.00791

null

pbe

true

f90a14ab0ec8063832bda669a370d236_4_Nd6Al2Fe2S14

[ "Li", "Na", "O", "Si" ]

72

A4B3CD

Li3NaO4Si

Li3 Na1 O4 Si1

4

[ 1, 1, 1 ]

3

[ [ -5.362272887, 5.362272887, 6.297483779 ], [ 5.362272887, -5.362272887, 6.297483779 ], [ 5.362272887, 5.362272887, -6.297483779 ] ]

oqmd-5857472

[ [ -0.3226100000000002, 1.7224500000000005, 0.7768999999999998 ], [ 1.4435600000000004, -0.014870000000000556, 8.768629999999998 ], [ 0.014869999999999916, 1.4435600000000002, 3.82634 ], [ -0.19879, 1.69611, 7.16571 ], [ 1.6961099999999996, 0.19879000000000036, 5.429259999999999 ], [ -3.63982, 5.68488, 5.52059 ], [ -1.7224499999999998, 5.03967, 3.925640000000001 ], [ 3.66616, -0.19878999999999977, 4.01696 ], [ 5.56106, -1.6961099999999996, 2.2805199999999997 ], [ 5.3474, -1.4435600000000004, 5.619880000000001 ], [ 3.918709999999999, 0.014869999999999923, 0.6776000000000002 ], [ 0.32260999999999984, 3.63982, 2.37185 ], [ -0.32261000000000023, 7.08472, 2.37185 ], [ 6.80584, -0.014870000000000674, 0.6776000000000005 ], [ 5.37714, 1.4435600000000004, 5.619879999999999 ], [ 5.1634899999999995, 1.6961100000000002, 2.28052 ], [ 7.058379999999999, 0.19879000000000055, 4.016959999999999 ], [ 1.7224499999999998, 5.68488, 3.92564 ], [ 3.63982, 5.039669999999999, 5.520589999999999 ], [ 3.666160000000001, 5.16349, -0.8682200000000004 ], [ 5.5610599999999994, 3.66616, 0.8682199999999995 ], [ 5.3474, 3.918709999999999, -2.4711399999999997 ], [ 3.91871, 5.37714, 2.471139999999999 ], [ 0.3226100000000001, 9.00209, 0.7768999999999994 ], [ 2.9816399999999996, -2.8352199999999996, 9.06098 ], [ -2.5270500000000005, 2.98164, 5.912230000000001 ], [ 2.52705, 2.38063, -2.76349 ], [ 2.38063, 2.83522, 0.38525 ], [ 2.9816399999999996, 2.5270499999999996, 6.68273 ], [ 2.8352199999999996, 2.98164, 3.5339899999999997 ], [ 7.88933, 2.3806300000000005, -0.3852500000000003 ], [ 2.380630000000001, 8.19749, 2.763489999999999 ], [ 1.76984, -1.0252800000000002, 10.4341 ], [ 1.84862, -0.89556, 7.030600000000001 ], [ 1.5859299999999998, -0.42902, 3.63974 ], [ 1.86494, -0.56459, 0.95013 ], [ 0.42902000000000007, 1.5859299999999996, 8.95523 ], [ 5.926859999999999, -3.497329999999999, 5.347359999999999 ], [ 4.336989999999999, -1.7698399999999987, 7.285349999999998 ], [ 4.466709999999999, -1.84862, 3.881850000000001 ], [ 0.8955599999999999, 1.8486200000000004, 5.56437 ], [ 1.0252799999999995, 1.76984, 2.1608699999999996 ], [ -0.56459, 3.49733, 4.09887 ], [ -0.42902, 3.77634, 6.788480000000001 ], [ -1.86494, 5.92686, 2.19862 ], [ 3.7763399999999994, 0.42902, 5.806489999999999 ], [ 3.5136499999999997, 0.8955600000000001, 2.4156299999999997 ], [ 3.59243, 1.0252799999999995, -0.9878699999999998 ], [ 1.7698399999999996, 4.33699, 5.309609999999999 ], [ 7.210899999999999, -0.8955599999999998, 2.41563 ], [ 1.5859299999999998, 4.93325, -0.49098999999999976 ], [ 1.86494, 4.79768, 2.1986199999999996 ], [ 5.791289999999999, 1.5859299999999996, 0.4909899999999998 ], [ 0.5645899999999999, 7.22722, 4.098869999999999 ], [ 4.33699, 3.59243, -4.13661 ], [ 4.46671, 3.51365, -0.7331100000000004 ], [ 6.257829999999999, 1.8486200000000004, 3.881850000000001 ], [ 1.0252799999999993, 7.13212, 0.98787 ], [ 4.797679999999999, 3.4973299999999994, 5.34736 ], [ 4.93325, 3.7763399999999994, 2.65775 ], [ 8.8596, 0.5645899999999993, 0.950130000000001 ], [ 3.7763399999999994, 5.791289999999999, -2.6577499999999996 ], [ 3.51365, 6.257829999999999, 0.7331100000000002 ], [ 3.5924300000000007, 6.387549999999999, 4.13661 ], [ 4.950179999999999, -3.4194699999999996, 4.02901 ], [ 1.9427999999999996, 0.41209, 2.2684799999999994 ], [ 3.419470000000001, -0.4120900000000007, 7.177749999999999 ], [ 0.41208999999999985, 3.41947, 5.41722 ], [ 4.95018, 1.9428000000000003, -0.8802600000000002 ], [ 1.9427999999999996, 5.774360000000001, 0.88026 ], [ 8.78174, -0.4120900000000009, 2.2684800000000007 ], [ 5.77436, 3.4194699999999996, 4.029010000000001 ] ]

[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.1111111111111111, 0.4444444444444444, 0.1111111111111111 ]

[ [ 37.1461727, 6e-8, 0 ], [ 6e-8, 37.1461727, 0 ], [ 0, 0, 37.61154192 ] ]

-425.07

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.019466, -0.010755, -0.002817 ], [ -0.001471, 0.004605, 0.010926 ], [ -0.004605, -0.001471, -0.010926 ], [ 0.009124, -0.012663, -0.000379 ], [ -0.012663, -0.009124, 0.000379 ], [ -0.010755, 0.019466, 0.002817 ], [ 0.010755, -0.019466, -0.002817 ], [ 0.012663, 0.009124, -0.000379 ], [ -0.009124, 0.012663, 0.000379 ], [ 0.004605, 0.001471, 0.010926 ], [ 0.001471, -0.004605, -0.010926 ], [ 0.019466, 0.010755, 0.002817 ], [ -0.019466, -0.010755, 0.002817 ], [ -0.001471, 0.004605, -0.010926 ], [ -0.004605, -0.001471, 0.010926 ], [ 0.009124, -0.012663, 0.000379 ], [ -0.012663, -0.009124, -0.000379 ], [ -0.010755, 0.019466, -0.002817 ], [ 0.010755, -0.019466, 0.002817 ], [ 0.012663, 0.009124, 0.000379 ], [ -0.009124, 0.012663, -0.000379 ], [ 0.004605, 0.001471, -0.010926 ], [ 0.001471, -0.004605, 0.010926 ], [ 0.019466, 0.010755, -0.002817 ], [ -0.005944, 0.000099, -0.007836 ], [ -0.000099, -0.005944, -0.007836 ], [ 0.000099, 0.005944, 0.007836 ], [ 0.005944, -0.000099, 0.007836 ], [ -0.005944, 0.000099, 0.007836 ], [ -0.000099, -0.005944, 0.007836 ], [ 0.000099, 0.005944, -0.007836 ], [ 0.005944, -0.000099, -0.007836 ], [ 0.033426, 0.045873, 0.013106 ], [ -0.009553, 0.008992, -0.005937 ], [ 0.012777, -0.014294, 0.017079 ], [ 0.008295, -0.0136, -0.014131 ], [ 0.014294, 0.012777, -0.017079 ], [ 0.0136, 0.008295, 0.014131 ], [ 0.045873, -0.033426, 0.013106 ], [ 0.008992, 0.009553, -0.005937 ], [ -0.008992, -0.009553, 0.005937 ], [ -0.045873, 0.033426, -0.013106 ], [ -0.0136, -0.008295, -0.014131 ], [ -0.014294, -0.012777, 0.017079 ], [ -0.008295, 0.0136, 0.014131 ], [ -0.012777, 0.014294, -0.017079 ], [ 0.009553, -0.008992, 0.005937 ], [ -0.033426, -0.045873, -0.013106 ], [ 0.033426, 0.045873, -0.013106 ], [ -0.009553, 0.008992, 0.005937 ], [ 0.012777, -0.014294, -0.017079 ], [ 0.008295, -0.0136, 0.014131 ], [ 0.014294, 0.012777, 0.017079 ], [ 0.0136, 0.008295, -0.014131 ], [ 0.045873, -0.033426, -0.013106 ], [ 0.008992, 0.009553, 0.005937 ], [ -0.008992, -0.009553, -0.005937 ], [ -0.045873, 0.033426, 0.013106 ], [ -0.0136, -0.008295, 0.014131 ], [ -0.014294, -0.012777, -0.017079 ], [ -0.008295, 0.0136, -0.014131 ], [ -0.012777, 0.014294, 0.017079 ], [ 0.009553, -0.008992, -0.005937 ], [ -0.033426, -0.045873, 0.013106 ], [ -0.003293, -0.007311, -0.007088 ], [ -0.007311, 0.003293, 0.007088 ], [ 0.007311, -0.003293, -0.007088 ], [ 0.003293, 0.007311, 0.007088 ], [ -0.003293, -0.007311, 0.007088 ], [ -0.007311, 0.003293, -0.007088 ], [ 0.007311, -0.003293, 0.007088 ], [ 0.003293, 0.007311, -0.007088 ] ]

null

pbe

false

f8222102dbacc3b895d456574fb835cd_88_Na8Li24Si8O32

[ "Na", "O", "Ti", "W" ]

20

A6B2CD

Na2O6TiW

Na2 O6 Ti1 W1

4

[ 1, 1, 1 ]

3

[ [ 5.370299206, 0, 0 ], [ 0, 5.410989808, 0 ], [ -5.361685835, 0, 7.652779638 ] ]

oqmd-6844390

[ [ 2.67757, 2.58619, 1.91288 ], [ 0.01188000000000012, 5.29168, 1.91351 ], [ -0.003269999999999855, 0.11931, 5.73927 ], [ -2.66896, 2.8248, 5.7399 ], [ 1.14303, 1.13226, 0.23264 ], [ 1.5701500000000002, 3.85765, 0.23816 ], [ 3.0129300000000003, 0.060840000000000005, 1.89636 ], [ -0.32346999999999976, 2.76634, 1.93003 ], [ 1.1193100000000002, 1.15216, 3.58823 ], [ 1.5464300000000002, 3.83776, 3.5937500000000004 ], [ -1.5378199999999995, 1.57323, 4.05903 ], [ -1.1106999999999998, 4.25883, 4.06455 ], [ 0.3320800000000004, 2.6446499999999995, 5.72275 ], [ -3.004309999999999, 5.350140000000001, 5.75642 ], [ -1.5615300000000003, 1.5533399999999995, 7.414620000000001 ], [ -1.1344099999999997, 4.27872, 7.420139999999999 ], [ 0, 2.70549, 0 ], [ -2.6808430443121103, 0, 3.826389999999999 ], [ 2.6851500000000006, 0, 0 ], [ 0.004310000000000353, 2.70549, 3.826389999999999 ] ]

[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "Na", "Na", "Na", "Na", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Ti", "Ti", "W", "W" ]

2024-11-01 00:00:00

[ 0.2, 0.6, 0.1, 0.1 ]

[ [ 44.58826551, 0, -0.95364678 ], [ 0, 44.26561704, 0 ], [ -0.95364678, 0, 45.4031524 ] ]

-153.124

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.007514, -0.026766, 0.001415 ], [ 0.007514, -0.026766, -0.001415 ], [ -0.007514, 0.026766, 0.001415 ], [ 0.007514, 0.026766, -0.001415 ], [ 0.002539, -0.041971, 0.025162 ], [ 0.006813, 0.026747, 0.010764 ], [ 0.017306, 0.004566, -0.023363 ], [ -0.017306, 0.004566, 0.023363 ], [ -0.006813, 0.026747, -0.010764 ], [ -0.002539, -0.041971, -0.025162 ], [ 0.002539, 0.041971, 0.025162 ], [ 0.006813, -0.026747, 0.010764 ], [ 0.017306, -0.004566, -0.023363 ], [ -0.017306, -0.004566, 0.023363 ], [ -0.006813, -0.026747, -0.010764 ], [ -0.002539, 0.041971, -0.025162 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000054

null

pbe

false

20f5f5f4e6d2c6f9da9723daf1701a98_14_Na4Ti2W2O12

[ "Os", "Sn", "Y" ]

4

A2BC

OsSn2Y

Os1 Sn2 Y1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.526122762, 3.526122762 ], [ 3.526122762, 0, 3.526122762 ], [ 3.526122762, 3.526122762, 0 ] ]

oqmd-5269066

[ [ 5.289180000000002, 5.289180000000002, 5.289180000000002 ], [ 0, 0, 0 ], [ 1.7630600000000003, 1.7630600000000003, 1.7630600000000003 ], [ 3.526120000000001, 3.526120000000001, 3.526120000000001 ] ]

[{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Os", "Sn", "Sn", "Y" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 7.37626257, 0, 0 ], [ 0, 7.37626257, 0 ], [ 0, 0, 7.37626257 ] ]

-25.2236

[ 0.014, 0, 0.001, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.01914

null

pbe

true

290757fcca105d7afd7a11e0752abb1b_216_Y1Sn2Os1

[ "As", "Cd", "Mg", "O" ]

8

ABCD

AsCdMgO

As1 Cd1 Mg1 O1

4

[ 1, 1, 1 ]

3

[ [ 3.291248317, 0, 0 ], [ 0, 7.306363973, 0 ], [ 0, 0, 6.318910826 ] ]

oqmd-5414312

[ [ 0, 6.081200000000001, 2.372039999999999 ], [ 0, 1.2251599999999985, 5.5314999999999985 ], [ 0, 1.337899999999998, 2.8515300000000012 ], [ 0, 5.968460000000001, 6.010990000000001 ], [ 1.6456200000000003, 3.022730000000002, 0.3926899999999999 ], [ 1.6456200000000003, 4.283629999999997, 3.552150000000002 ], [ 1.6456200000000003, 2.8091200000000005, 2.307620000000002 ], [ 1.6456200000000003, 4.497239999999999, 5.467080000000002 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "As", "As", "Cd", "Cd", "Mg", "Mg", "O", "O" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 11.92765678, 0, 0 ], [ 0, 23.86687146, 0 ], [ 0, 0, 20.79186434 ] ]

-31.6837

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.039858, -0.014471 ], [ 0, 0.039858, -0.014471 ], [ 0, 0.010927, 0.029177 ], [ 0, -0.010927, 0.029177 ], [ 0, 0.004778, 0.001484 ], [ 0, -0.004778, 0.001484 ], [ 0, 0.001654, -0.01619 ], [ 0, -0.001654, -0.01619 ] ]

null

pbe

true

f3fca87b955b48c4454b790bd73a93fe_26_Mg2Cd2As2O2

[ "Cd", "Na", "Os", "Re" ]

4

ABCD

CdNaOsRe

Cd1 Na1 Os1 Re1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.189287, 3.189287 ], [ 3.189287, 0, 3.189287 ], [ 3.189287, 3.189287, 0 ] ]

oqmd-3129808

[ [ 3.1892799999999983, 3.1892799999999983, 3.1892799999999983 ], [ 4.783930000000003, 4.783930000000003, 4.783930000000003 ], [ 0, 0, 0 ], [ 1.594649999999998, 1.594649999999998, 1.594649999999998 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "Cd", "Na", "Os", "Re" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 19.41048, 0, 0 ], [ 0, 19.41048, 0 ], [ 0, 0, 19.41048 ] ]

-22.7559

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000806

null

pbe

true

70a3f572b9f538f9f4b4777f31c90008_216_Na1Cd1Re1Os1

[ "Co", "Lu", "N", "V" ]

24

A4B3C3D2

Co3Lu4N3V2

Co3 Lu4 N3 V2

4

[ 1, 1, 1 ]

3

[ [ 4.673233637, -2.722939595, 0 ], [ 4.673233637, 2.722939595, 0 ], [ -3.192532966, 0, 14.337691246 ] ]

oqmd-9236551

[ [ 6.25234, -0.9393699999999998, 3.5718599999999996 ], [ 3.8751, -2.104509999999999, 3.58442 ], [ 1.4978600000000002, -0.93937, 3.5969799999999994 ], [ 4.656080000000001, 0.9393700000000004, 10.74071 ], [ 2.278830000000001, 2.10451, 10.75327 ], [ -0.0984099999999995, 0.93937, 10.76583 ], [ 0.7887100000000001, 0.41895, 1.3836499999999998 ], [ 7.037789999999999, 0.4616499999999999, 1.38381 ], [ 0.7124100000000004, 0.46165, 5.78503 ], [ 6.9614899999999995, 0.41894999999999993, 5.7852 ], [ -0.8075500000000001, -0.41895, 8.55249 ], [ 5.441520000000001, -0.46165, 8.552659999999998 ], [ -0.8838499999999997, -0.46165, 12.95388 ], [ 5.365220000000002, -0.4189499999999998, 12.954039999999996 ], [ 2.3366185830198867, 1.3614708256277248, 0 ], [ 3.93788, -1.28243, 0.0036699999999999992 ], [ 3.8123200000000006, -1.2824300000000002, 7.16517 ], [ 0.7403498542128113, -1.3614700849454018, 7.16885 ], [ 2.3416100000000006, 1.2824300000000002, 7.17252 ], [ 2.2160500000000005, 1.28243, 14.33402 ], [ 3.885559999999999, 0.45708000000000015, 0.99624 ], [ 3.86464, 0.4570799999999999, 6.1726 ], [ 2.28929, -0.45708000000000026, 8.16509 ], [ 2.2683800000000005, -0.45707999999999976, 13.341449999999998 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Co", "Co", "Co", "Co", "Co", "Co", "Lu", "Lu", "Lu", "Lu", "Lu", "Lu", "Lu", "Lu", "N", "N", "N", "N", "N", "N", "V", "V", "V", "V" ]

2024-11-01 00:00:00

[ 0.25, 0.3333333333333333, 0.25, 0.16666666666666666 ]

[ [ 14.24233229, 0, 0.39158449 ], [ 0, 13.77931614, 0 ], [ 0.39158449, 0, 15.08088609 ] ]

-175.038

[ 1.271, 1.187, 1.176, 1.176, 1.187, 1.271, -0.128, -0.13, -0.125, -0.126, -0.126, -0.125, -0.13, -0.128, -0.005, -0.003, -0.003, -0.004, -0.003, -0.003, -0.063, -0.036, -0.036, -0.063 ]

[ [ -0.025428, 0.021679, -0.000532 ], [ 0, -0.022534, 0 ], [ 0.025428, 0.021679, 0.000532 ], [ -0.025428, -0.021679, -0.000532 ], [ 0, 0.022534, 0 ], [ 0.025428, -0.021679, 0.000532 ], [ -0.023928, -0.003493, -0.008792 ], [ -0.004771, 0.006701, -0.005434 ], [ 0.004771, 0.006701, 0.005434 ], [ 0.023928, -0.003493, 0.008792 ], [ -0.023928, 0.003493, -0.008792 ], [ -0.004771, -0.006701, -0.005434 ], [ 0.004771, -0.006701, 0.005434 ], [ 0.023928, 0.003493, 0.008792 ], [ 0, 0, 0 ], [ -0.020409, -0.029885, -0.00281 ], [ 0.020409, -0.029885, 0.00281 ], [ 0, 0, 0 ], [ -0.020409, 0.029885, -0.00281 ], [ 0.020409, 0.029885, 0.00281 ], [ -0.024289, 0.00457, -0.003358 ], [ 0.024289, 0.00457, 0.003358 ], [ -0.024289, -0.00457, -0.003358 ], [ 0.024289, -0.00457, 0.003358 ] ]

5.62908

null

pbe

false

848366149464547f881613475a487935_15_Lu8V4Co6N6