LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Hf", "Mo" ]

4

A3B

Hf3Mo

Hf3 Mo1

2

[ 1, 1, 1 ]

3

[ [ 4.90248443, 0, 0 ], [ 0, 2.97314063, 0 ], [ 0, 0, 5.61272659 ] ]

agm001829027

[ [ 0, 0, 5.394006268095863 ], [ 0, 1.486570315, 2.760046626161193 ], [ 2.451242215, 1.486570315, 1.0445439656516544 ], [ 2.451242215, 0, 3.8977633125157607 ] ]

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

[ "Mo", "Hf", "Hf", "Hf" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 5.878063, 0, 0 ], [ 0, 5.5249143, 0 ], [ 0, 0, 5.928324 ] ]

-39.966658

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00224773 ], [ 0, 0, 0.00500295 ], [ 0, 0, 0.00122647 ], [ 0, 0, -0.0039817 ] ]

0.000004

3.826757

pbe

true

f34d8c8ef631a6129c3d3cc870306a9f_25_Hf3Mo1

[ "Ag", "Ce", "Pu" ]

3

ABC

AgCePu

Ce1 Pu1 Ag1

3

[ 1, 1, 1 ]

3

[ [ 2.97556874, 0, 0 ], [ 0, 5.10891559, 0 ], [ 0, -2.55445779, 4.42445069 ] ]

agm001266925

[ [ 0.9917791100063634, -2.22112447019816e-8, 2.949633808081502 ], [ 2.479701546395899, 0, 0 ], [ 2.479656823597737, 2.5544578222112446, 1.4748168819184975 ] ]

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

[ "Ag", "Ce", "Pu" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.784048, 0, 0 ], [ 0, 3.6678085, 0 ], [ 0, 0, 3.6678085 ] ]

-22.912584

[ 0.01, 0.123, 5.363 ]

[ [ 0.00027567, 0, 0 ], [ -0.00013838, 0, 0 ], [ -0.00013729, 0, 0 ] ]

5.55845

7.767529

pbe

true

1f8c9b18adda733add70a200f87c09cd_187_Ce1Pu1Ag1

[ "C", "Tc" ]

3

A2B

C2Tc

Tc1 C2

2

[ 1, 1, 1 ]

3

[ [ 3.29474348, 0, 0 ], [ -1.64737174, 2.85333156, 0 ], [ 0, 0, 2.78065193 ] ]

agm003816202

[ [ -1.647371749508678e-8, 1.9022210495111052, 1.390325965 ], [ 1.6473717564737176, 0.9511105104888947, 1.390325965 ], [ 0, 0, 0 ] ]

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

[ "C", "C", "Tc" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 0.16357318, 0, 0 ], [ 0, 0.16357318, 0 ], [ 0, 0, -0.03219929 ] ]

-22.29803

[ 0, 0, 0 ]

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

0.000003

2.205139

pbe

true

6f982196fbaf210e0d3d5bbb64221490_191_Tc1C2

[ "Pt", "Yb" ]

10

A3B2

Pt3Yb2

Yb4 Pt6

2

[ 1, 1, 1 ]

3

[ [ 5.44410535, -0.00003272, 0.00000125 ], [ -2.72207888, 4.63306642, 0.00008042 ], [ 0.00000195, 0.00013501, 8.2102436 ] ]

agm002324007

[ [ -0.00004071878500561754, 1.4216552966529532, 4.871027336690071 ], [ 2.7220365015121684, 3.2114894608998594, 3.3393116439902446 ], [ -0.000018553878006540445, 3.2114300965321214, 0.7657370087150279 ], [ 2.7220141732775733, 1.421714289925384, 7.444574467642706 ], [ 2.7220372357376843, 0.0001017844559655, 4.105129732998857 ], [ -0.000014300940471000002, 0.0001852785747116, 8.210236540066111 ], [ 1.3609129599063532, 3.6859604859288604, 6.157849706138211 ], [ 4.083083261577276, 0.9471799125879337, 2.052553775435226 ], [ -1.3610874244762563, 3.6859761493812315, 6.15777149433604 ], [ 1.3610828227509337, 0.9471960393415876, 2.0524753173338395 ] ]

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

[ "Yb", "Yb", "Yb", "Yb", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.6, 0.4 ]

[ [ 3.2891307, 0.00323561, -0.00029031 ], [ 0.00323552, 2.6903114, -0.00486422 ], [ -0.00029022, -0.00486454, 3.392453 ] ]

-53.163713

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

[ [ 0.00001563, 0.00088413, -0.00126825 ], [ -0.00001519, -0.00080402, 0.0010488 ], [ -0.0000074, -0.00084162, -0.00027111 ], [ 0.00000732, 0.00092243, 0.00048999 ], [ -5.7e-7, -0.00015019, 0.00006158 ], [ 4e-7, -0.00015151, -0.00006558 ], [ 0.00024129, -0.00335346, -0.00077603 ], [ 0.00024359, 0.00342254, 0.00036934 ], [ -0.00024582, -0.00335082, -0.00036771 ], [ -0.00023925, 0.00342251, 0.00077897 ] ]

0

4.080804

pbe

true

a1e30b4836bb269fd156d44b1ba76166_64_Yb4Pt6

[ "Ag", "In", "Sm" ]

10

A3BC

Ag3InSm

Sm2 In2 Ag6

3

[ 1, 1, 1 ]

3

[ [ 5.15705154, 0, 0 ], [ 0, 5.15705154, 0 ], [ -2.57852576, -2.57852577, 11.12254636 ] ]

agm003719559

[ [ 0, 0, 0 ], [ 5.00000019165725e-9, 2.5785257699999997, 5.56127318 ], [ 2.5785257976716824, 2.5785257696339994e-8, 2.098183950687128 ], [ 2.5785257523283187, -2.5785257569260375e-8, 9.024362409312872 ], [ 1.2858359285875918, 2.5785257699999997, 8.316274525149472 ], [ 2.523048127841096e-9, 3.864361691110639, 2.806271834850528 ], [ 2.523048127841096e-9, 1.292689848889361, 2.806271834850528 ], [ -1.285835913633687, 2.5785257699999997, 8.316274525149472 ], [ 3.256398015128449e-8, -2.5785257622155224e-8, 7.5396650818806545 ], [ 2.5785257474360206, 2.5785257957852576, 3.5828812781193444 ] ]

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

[ "Sm", "Sm", "In", "In", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 3.1677983, 0, 0 ], [ 0, 3.1677983, 0 ], [ 0, 0, 3.0641358 ] ]

-30.186326

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0002164 ], [ 0, 0, -0.0002164 ], [ 0.00009341, 0, 0.00442873 ], [ 0, 0.00009341, -0.00442873 ], [ 0, -0.00009341, -0.00442873 ], [ -0.00009341, 0, 0.00442873 ], [ 0, 0, -0.0004497 ], [ 0, 0, 0.0004497 ] ]

-0.000002

6.129994

pbe

true

5c6115bc40991ea30802f3155630af33_119_Sm2In2Ag6

[ "Ag", "Li", "Pr" ]

8

A4B3C

Ag4Li3Pr

Li3 Pr1 Ag4

3

[ 1, 1, 1 ]

3

[ [ 4.39815879, 0, 1.29828434 ], [ 2.00746066, 3.91329886, 1.29828434 ], [ -0.27465314, -0.16778983, 9.02933028 ] ]

agm005941805

[ [ 0, 0, 0 ], [ 5.4839673453005515, 3.3502464673591876, 5.718813092175187 ], [ 2.3443119688453855, 1.4321792048612167, 8.256030926547288 ], [ 0.6469989646994485, 0.39526256264081244, 5.907085867824812 ], [ 3.7866543411546147, 2.3133298251387835, 3.369868033452713 ], [ 1.4374793136970625, 0.8781799775406232, 3.229199801412649 ], [ 4.693486996302938, 2.8673290524593766, 8.396699158587351 ], [ 3.065483155, 1.872754515, 5.81294948 ] ]

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

[ "Pr", "Ag", "Ag", "Ag", "Ag", "Li", "Li", "Li" ]

2023-11-16 06:57:59

[ 0.5, 0.375, 0.125 ]

[ [ 4.1329737, 0.00017319, -0.00095847 ], [ 0.00017319, 4.1327972, -0.0005854 ], [ -0.00095847, -0.0005854, 4.135937 ] ]

-23.538071

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

[ [ 0, 0, 0 ], [ -0.00050133, -0.00030627, 0.00169835 ], [ 0.00029809, 0.00018211, -0.00100981 ], [ 0.00050133, 0.00030627, -0.00169835 ], [ -0.00029809, -0.00018211, 0.00100981 ], [ 0.00042892, 0.00026203, -0.00145303 ], [ -0.00042892, -0.00026203, 0.00145303 ], [ 0, 0, 0 ] ]

-0.000001

4.119726

pbe

true

fe66991c2d1765dec2920d16c89fc4a0_166_Li3Pr1Ag4

[ "Al", "Pt", "V" ]

8

A6BC

AlPt6V

Al1 V1 Pt6

3

[ 1, 1, 1 ]

3

[ [ 3.91705421, 0, 0 ], [ 0, 3.91705421, 0 ], [ 0, 0, 7.84480641 ] ]

agm005756608

[ [ 0, 0, 0 ], [ 0, 0, 3.922403205 ], [ 1.958527105, 1.958527105, 0 ], [ 1.958527105, 1.958527105, 3.922403205 ], [ 1.958527105, 0, 1.9952140158595808 ], [ 1.958527105, 0, 5.84959239414042 ], [ 0, 1.958527105, 1.9952140158595808 ], [ 0, 1.958527105, 5.84959239414042 ] ]

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

[ "Al", "V", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.125, 0.75, 0.125 ]

[ [ 8.251972, 0, 0 ], [ 0, 8.251972, 0 ], [ 0, 0, 7.802763 ] ]

-53.889461

[ -0.003, 0.874, -0.058, -0.068, -0.052, -0.052, -0.052, -0.052 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00492591 ], [ 0, 0, -0.00492591 ], [ 0, 0, 0.00492591 ], [ 0, 0, -0.00492591 ] ]

0.586867

6.269691

pbe

true

5b05f06bebc716601c6ebb9a7fd6790a_123_Al1V1Pt6

[ "As", "Cr", "Mg" ]

4

A2BC

AsCr2Mg

Mg1 Cr2 As1

3

[ 1, 1, 1 ]

3

[ [ 4.27913575, 0, 0 ], [ 0, 2.85772351, 0.00565766 ], [ 0, 0.4165245, 4.79561417 ] ]

agm003782444

[ [ 2.139567875, 2.4556860075, 3.6009538725000003 ], [ 0, 2.5521153259151856, 0.0874845493803728 ], [ 0, 1.9427321932500594, 2.318809073575769 ], [ 2.139567875, 0.8185620025, 1.2003179575 ] ]

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

[ "As", "Cr", "Cr", "Mg" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.982385, 0, 0 ], [ 0, 2.1859953, -0.10149191 ], [ 0, -0.10149193, 1.5687921 ] ]

-24.108928

[ -0.029, 0.907, 0.907, -0.011 ]

[ [ 0, 0, 0 ], [ 0, -0.00120753, -0.00598863 ], [ 0, 0.00120753, 0.00598863 ], [ 0, 0, 0 ] ]

1.861203

3.939909

pbe

true

69448e014d46413a3d1d028bea4270de_10_Mg1Cr2As1

[ "As", "Hf", "P" ]

6

A3B2C

As2Hf3P

Hf3 As2 P1

3

[ 1, 1, 1 ]

3

[ [ 3.62809449, 0, -1.0981974 ], [ -0.65859688, 4.8061534, -2.17579312 ], [ 0.01958407, 0.05295846, 6.60683243 ] ]

agm005653108

[ [ 2.8585830512803994, 1.6948593930117906, -0.369344716986932 ], [ 0.13049862871960072, 3.1642524669882097, 3.7021866269869323 ], [ 1.82383928, 0.02647923, 2.754317515 ], [ 2.461034855142115, 3.986508717898854, -1.682729774388277 ], [ 0.528046824857885, 0.8726031421011465, 5.015571684388277 ], [ 1.49454084, 2.4295559300000003, 1.666420955 ] ]

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

[ "Hf", "Hf", "Hf", "As", "As", "P" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.5, 0.16666666666666666 ]

[ [ 0.7739689, -0.0308474, -0.09632461 ], [ -0.0308474, 0.63049084, -0.10190983 ], [ -0.09632461, -0.10190983, 0.48489973 ] ]

-50.817472

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

[ [ 0.00104359, 0.0017038, 0.00344767 ], [ -0.00104359, -0.0017038, -0.00344767 ], [ 0, 0, 0 ], [ 0.00044065, 0.00071942, 0.00145577 ], [ -0.00044065, -0.00071942, -0.00145577 ], [ 0, 0, 0 ] ]

-0.000001

1.994465

pbe

true

11782aeeb97b3df507cf489854aeff5d_71_Hf3As2P1

[ "Au", "K", "W" ]

4

A2BC

AuKW2

K1 W2 Au1

3

[ 1, 1, 1 ]

3

[ [ 3.28801508, 0, 0 ], [ 0, 2.82545543, -0.00896923 ], [ 0, 1.97733122, 9.37120187 ] ]

agm004151179

[ [ 0, 2.415009419005518, 4.244585311908861 ], [ 1.64400754, 3.8182779188202134, 6.886866252106154 ], [ 0, 2.858043703806191, 0.6199936352265832 ], [ 1.64400754, 0.938304391622632, 2.2829345306687094 ] ]

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

[ "Au", "K", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.16068, 0, 0 ], [ 0, 4.9850545, 0.0066982 ], [ 0, 0.00669832, 5.197554 ] ]

-27.64251

[ 0, 0, 0, 0 ]

[ [ 0, 0.00207136, -0.00662561 ], [ 0, -0.0002169, 0.00373262 ], [ 0, -0.0090084, -0.01270806 ], [ 0, 0.00715394, 0.01560105 ] ]

-0.000001

3.216489

pbe

true

594af68a18dd615bc3d5c74815cf17b3_6_K1W2Au1

[ "Br", "Se", "Tl" ]

12

A3B2C

Br2SeTl3

Tl6 Se2 Br4

3

[ 1, 1, 1 ]

3

[ [ 6.3455124, 0, 0 ], [ 0, 9.20395733, 0.00185248 ], [ -3.1727562, -2.30156458, 7.13156023 ] ]

agm003417179

[ [ 3.173609925238296, 2.3009893325, 0.00046312 ], [ -0.000853725238296299, 4.601403417499999, 7.13294959 ], [ -0.00019826553493808204, -0.0017686280896650202, 2.1272850434216743 ], [ 3.1725516524077855, 2.3021827130896644, 5.005201426578326 ], [ 0.00020454759221398647, 4.600210036910335, 2.128211283421674 ], [ 3.172954465534938, 6.904161378089664, 5.006127666578326 ], [ 6.344707535207184, 6.902967997499999, 0.00138936 ], [ -3.1719513352071838, -0.0005752475000000423, 7.13202335 ], [ 3.172977880475694, 4.6020078159316675, 2.344255470647848 ], [ 3.1725345195243055, 0.00002915093166790996, 2.3433292306478477 ], [ 0.00022168047569402346, 6.902363599068332, 4.790083479352152 ], [ -0.00022168047569405972, 2.300384934068332, 4.789157239352152 ] ]

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

[ "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Se", "Se", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

[ [ 2.1976807, 0, 0 ], [ 0, 1.8007796, -0.01337942 ], [ 0, -0.01337944, 2.0914016 ] ]

-34.826788

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

[ [ -0.00035605, 0, 0 ], [ 0.00035605, 0, 0 ], [ 0.00004618, 0.00172666, 0.0026293 ], [ 0.00004618, -0.00172666, -0.0026293 ], [ -0.00004618, 0.00172666, 0.0026293 ], [ -0.00004618, -0.00172666, -0.0026293 ], [ 0.00024335, 0, 0 ], [ -0.00024335, 0, 0 ], [ -0.00008181, -0.00013678, 0.00072409 ], [ 0.00008181, -0.00013678, 0.00072409 ], [ -0.00008181, 0.00013678, -0.00072409 ], [ 0.00008181, 0.00013678, -0.00072409 ] ]

0.00005

7.820545

pbe

true

5756914198bfab7cbd7f5d1257a7267c_71_Tl6Se2Br4

[ "C", "K", "Tc" ]

5

A3BC

CKTc3

K1 Tc3 C1

3

[ 1, 1, 1 ]

3

[ [ 4.25363485, 0, 0 ], [ 0, 4.25363485, 0 ], [ 0, 0, 4.25363485 ] ]

agm002431860

[ [ 0, 0, 0 ], [ 2.126817425, 2.126817425, 2.126817425 ], [ 0, 2.126817425, 0 ], [ 0, 0, 2.126817425 ], [ 2.126817425, 0, 0 ] ]

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

[ "C", "K", "Tc", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 0.10913766, 0, 0 ], [ 0, 0.10913766, 0 ], [ 0, 0, 0.10913766 ] ]

-35.795272

[ -0.031, 0.022, 0.634, 0.674, 0.438 ]

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

1.912795

6.94374

pbe

true

50c25069f27b9374f05e32b025c89f80_221_K1Tc3C1

[ "Er", "La", "Th" ]

6

A4BC

Er4LaTh

La1 Er4 Th1

3

[ 1, 1, 1 ]

3

[ [ 6.58351265, 0, 0 ], [ 3.29175633, 5.70148921, 0 ], [ 3.29175633, 1.9004964, 5.37541557 ] ]

agm001177453

[ [ 3.2917563275000004, 1.9004964025, 1.3438538925 ], [ 0, 0, 0 ], [ 6.583515912578986, 3.8009908867584055, 0.6561663353070715 ], [ 6.583515912578986, 1.8856365148939, 3.3648864585077343 ], [ 8.242261454320266, 4.7586680701711135, 3.3648864585077343 ], [ 4.924770375876796, 4.7586680701711135, 3.3648864585077343 ] ]

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

[ "La", "Th", "Er", "Er", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 0.45924762, 0, 0 ], [ 0, 0.45924762, 0 ], [ 0, 0, 0.45924762 ] ]

-28.652994

[ 0.434, 0.447, 0.328, 0.328, 0.328, 0.328 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00429782 ], [ 0, 0.00405202, -0.00143261 ], [ -0.00350915, -0.00202601, -0.00143261 ], [ 0.00350915, -0.00202601, -0.00143261 ] ]

3.805424

13.800844

pbe

true

3821e050daf7f0837a5ffa97f7ea80f1_216_La1Er4Th1

[ "Ga", "Hg", "Tm" ]

7

A4B2C

Ga2HgTm4

Tm4 Ga2 Hg1

3

[ 1, 1, 1 ]

3

[ [ 4.89186239, 0, 0 ], [ 2.44593119, 4.2364771, 0 ], [ 2.44593119, 1.41215903, 9.00593061 ] ]

agm003460904

[ [ 4.891864829742418, 2.824319475970258, 7.714774564397641 ], [ 2.4459311675830526, 1.4121590179207741, 3.4879128999204085 ], [ 7.337793602416948, 4.236477112079227, 5.518017710079592 ], [ 4.891859940257582, 2.824316654029742, 1.2911560456023592 ], [ 2.4459311665239394, 1.4121590168616607, 6.349403436476761 ], [ 7.337793603476061, 4.236477113138339, 2.656527173523239 ], [ 0, 0, 0 ] ]

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

[ "Tm", "Tm", "Tm", "Tm", "Ga", "Ga", "Hg" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]

[ [ 1.4476643, 0, 0 ], [ 0, 1.4476643, 0 ], [ 0, 0, 1.4865205 ] ]

-26.067518

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

[ [ 0, 0, 0.00019999 ], [ 0, 0, 0.00396558 ], [ 0, 0, -0.00396558 ], [ 0, 0, -0.00019999 ], [ 0, 0, 0.00491694 ], [ 0, 0, -0.00491694 ], [ 0, 0, 0 ] ]

0.000058

7.262425

pbe

true

d1b0cb6bbdabb4ac838672c117d72c46_166_Tm4Ga2Hg1

[ "Ca", "Co", "La", "Rh" ]

5

A2BCD

CaCo2LaRh

Ca1 La1 Co2 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.65420468, 0, 0 ], [ 0, 4.99459685, 0 ], [ 0, 0, 4.65420468 ] ]

agm001476782

[ [ 0, 0, 2.32710234 ], [ 2.32710234, 0, 0 ], [ 2.32710234, 2.497298425, 2.32710234 ], [ 0, 2.497298425, 0 ], [ 0, 0, 0 ] ]

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

[ "Co", "Co", "Ca", "Rh", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 7.832855, 0, 0 ], [ 0, 6.9181542, 0 ], [ 0, 0, 7.832855 ] ]

-24.500142

[ 0, 0, 0, 0, 0 ]

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

-0.000006

1.505184

pbe

true

2a0a396ca717d9ea1e8937a7c4e6ccb4_123_Ca1La1Co2Rh1

[ "Co", "Ru", "Sm", "Y" ]

4

ABCD

CoRuSmY

Sm1 Y1 Co1 Ru1

4

[ 1, 1, 1 ]

3

[ [ 4.82966824, 0, 0 ], [ 2.41483412, 4.18261539, 0 ], [ 2.41483412, 1.39420513, 3.94340761 ] ]

agm001308369

[ [ 4.82966824, 2.78841026, 1.971703805 ], [ 7.24450236, 4.18261539, 2.9575557075 ], [ 2.41483412, 1.39420513, 0.9858519025 ], [ 0, 0, 0 ] ]

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

[ "Y", "Ru", "Co", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.0705857, 0, 0 ], [ 0, 2.0705857, 0 ], [ 0, 0, 2.0705857 ] ]

-28.126206

[ 0, 0, 0.001, 0 ]

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

0.000349

3.723588

pbe

true

1394fd87c9823075e9eed6a1dc27d6ae_216_Sm1Y1Co1Ru1

[ "Er", "Ho", "Pr", "Sm" ]

12

A6B3C2D

Er3Ho6PrSm2

Pr1 Sm2 Ho6 Er3

4

[ 1, 1, 1 ]

3

[ [ 6.15293023, 0.00101382, 0.0138467 ], [ -3.0740894, 5.3299649, 0.0138467 ], [ -1.04808541, -1.81474825, 11.5657707 ] ]

agm004658346

[ [ 0, 0, 0 ], [ 0.0017420226299223133, 3.553556499585482, 0.0138467 ], [ 3.0770988073700773, 1.7774222204145185, 0.0138467 ], [ 3.060019239172483, 1.7431640751510988, 8.648497593995444 ], [ 2.047705781985812, 3.5455798313936615, 2.958407760435156 ], [ -1.0292638191724839, 1.7730663948489016, 2.944966506004557 ], [ -0.019395588800945367, 3.521642027007046, 8.648497593995444 ], [ -0.01695036198581233, -0.029349361393660865, 8.635056339564844 ], [ 2.0501510088009454, -0.005411557007045525, 2.944966506004557 ], [ -2.0588704483316107, 3.5336092406987016, 5.79673205 ], [ 4.089625868331611, -0.017378770698701196, 5.79673205 ], [ 1.0153777099999999, 1.758115235, 5.79673205 ] ]

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

[ "Pr", "Sm", "Sm", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Er", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.08333333333333333, 0.16666666666666666 ]

[ [ 1.2523402, 0.04917781, -0.01541226 ], [ 0.04917781, 1.309089, -0.02668616 ], [ -0.01541225, -0.02668613, 1.17377 ] ]

-55.127415

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

[ [ 0, 0, 0 ], [ -0.00001917, 0.00001107, 0 ], [ 0.00001917, -0.00001107, 0 ], [ 0.00126414, 0.00241662, 0.00102783 ], [ -0.00109646, -0.0018985, -0.00064013 ], [ -0.00126414, -0.00241662, -0.00102783 ], [ 0.00146143, 0.00230267, 0.00102783 ], [ 0.00109646, 0.0018985, 0.00064013 ], [ -0.00146143, -0.00230267, -0.00102783 ], [ -0.00320025, 0.00184826, 0 ], [ 0.00320025, -0.00184826, 0 ], [ 0, 0, 0 ] ]

-0.000056

15.994574

pbe

true

728a1d9961932a6d549196090067cc20_12_Pr1Sm2Ho6Er3

[ "Hg", "I", "Mg", "U" ]

9

A6BCD

HgI6MgU

Mg1 U1 Hg1 I6

4

[ 1, 1, 1 ]

3

[ [ 7.54060741, 0.00027849, -0.00027711 ], [ 3.7706008, 6.53029913, 0.00017878 ], [ 0.00021837, -0.00054415, 9.7476392 ] ]

agm005100175

[ [ 3.7700785531117336, 2.1765128620944774, 4.873498110576584 ], [ 7.540693836049037, 4.3535244505404345, 4.873791976894705 ], [ 11.310501543634544, 6.529414120153828, 9.747457044199912 ], [ 1.3765443346780963, 2.289537913092471, 3.1392114694133366 ], [ 2.6711866140148963, 0.047273549986275996, 6.608296555296015 ], [ 6.1646472093333635, 2.289828448467808, 6.6083599065491745 ], [ 2.4754632026246455, 4.19339408707337, 6.607973795855289 ], [ 5.065679788188767, 4.193658387835171, 3.1389904332206107 ], [ 4.869535029267704, 0.0467729959978239, 3.1393560200763404 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "Mg", "U", "Hg", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]

[ [ 0.6245937, 0.00389353, 0.01134894 ], [ 0.0038936, 0.6127355, -0.0095678 ], [ 0.01134894, -0.00956779, 0.6728232 ] ]

-29.473999

[ 0.002, 2.152, -0.004, -0.029, -0.029, -0.029, -0.029, -0.029, -0.029 ]

[ [ 0.00108299, 0.00043046, 0.00066319 ], [ -0.00096139, -0.00037942, -0.0003226 ], [ 0.00003551, 0.00003851, -0.00006407 ], [ -0.00206659, 0.00120556, 0.00340846 ], [ 0.00010602, -0.00258041, -0.00376636 ], [ 0.00057019, 0.00063925, -0.0039977 ], [ 0.00023232, 0.0011277, -0.00218623 ], [ 0.00037183, 0.00018009, 0.00369387 ], [ 0.00062913, -0.00066175, 0.00257143 ] ]

1.999999

10.824126

pbe

true

74e07858e1b954f440e547f156e393aa_149_Mg1U1Hg1I6

[ "Ho", "Pm", "Th", "Y" ]

10

A2BCD

Ho2PmThY

Pm2 Y2 Ho4 Th2

4

[ 1, 1, 1 ]

3

[ [ 6.42527281, 0, 0 ], [ 0, 8.48629899, 0.86331625 ], [ 0, -1.5894906, 6.11735875 ] ]

agm004994595

[ [ 0, 0, 0 ], [ 0, -0.7947453, 3.058679375 ], [ 1.1300408075368797, 3.051031545, 5.0196771875 ], [ 5.295232002463121, 3.845776845, 1.9609978125 ], [ 4.414899270755851, 4.5562760334981585, 5.462443880148288 ], [ 4.414899270755851, 1.5457870565018421, 4.576910494851712 ], [ 2.010367113971339, 5.351021333498158, 2.4037645051482874 ], [ 2.010367113971339, 2.3405323565018423, 1.5182311198517127 ], [ 3.5439940848317817, -0.39737265, 1.5293396875 ], [ 2.8812787251682184, -1.19211795, 4.5880190625 ] ]

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

[ "Pm", "Pm", "Y", "Y", "Ho", "Ho", "Ho", "Ho", "Th", "Th" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.5172574, 0, 0 ], [ 0, 0.5368685, 0.04797726 ], [ 0, 0.04797735, 0.59389096 ] ]

-52.340977

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00065478, 0, 0 ], [ -0.00065478, 0, 0 ], [ 0.00434417, -0.00058434, 0.00267539 ], [ 0.00434417, 0.00058434, -0.00267539 ], [ -0.00434417, -0.00058434, 0.00267539 ], [ -0.00434417, 0.00058434, -0.00267539 ], [ -0.00173035, 0, 0 ], [ 0.00173035, 0, 0 ] ]

0.000079

13.832652

pbe

true

ad905c3f597edf7a09526cfec90bb1dd_13_Pm2Y2Ho4Th2

[ "Ca", "Dy", "S", "Sm" ]

15

A8B3C3D

Ca3DyS8Sm3

Ca3 Sm3 Dy1 S8

4

[ 1, 1, 1 ]

3

[ [ 8.00098552, -0.00000401, -0.00000161 ], [ -4.00049618, 6.92962555, -0.02380246 ], [ 0.00000105, -4.59647789, 6.6110909 ] ]

agm004696708

[ [ 0, 0, 0 ], [ -2.00024809, 3.464812775, -0.01190123 ], [ 2.0002446700000003, 3.46481077, -0.011902035 ], [ 4.000493285, -2.29824095, 3.305544645 ], [ 2.000245195, 1.1665718250000001, 3.293643415 ], [ -2.000247565, 1.16657383, 3.29364422 ], [ 5.25e-7, -2.298238945, 3.30554545 ], [ -0.0000016458722840586482, 2.3155774462608147, 1.6322348071568176 ], [ 4.000492035872284, 0.01756620373918569, 4.955052022843182 ], [ 4.000491032238991, 2.3747239985522737, 1.700727294493847 ], [ -6.422389905176035e-7, -0.04158034855227394, 4.886559535506153 ], [ 6.051940352575965, -1.178566413969169, 1.7130782570183969 ], [ -2.051449962575964, 3.511710063969168, 4.874208572981603 ], [ 1.9490467393684108, -1.1785636660809775, 1.71307868453038 ], [ 2.05144365063159, 3.5117073160809773, 4.87420814546962 ] ]

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

[ "Ca", "Ca", "Ca", "Sm", "Sm", "Sm", "Dy", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.2, 0.06666666666666667, 0.5333333333333333, 0.2 ]

[ [ 0.10566344, 0.00002344, 0.00005971 ], [ 0.00002339, -0.03433614, -0.09078084 ], [ 0.00005976, -0.09078091, 0.13622576 ] ]

-89.062009

[ 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 ], [ 0.00000174, 0.00086263, 0.00191504 ], [ -0.00000174, -0.00086263, -0.00191504 ], [ -0.00000441, 0.00372657, -0.00226472 ], [ 0.00000441, -0.00372657, 0.00226472 ], [ 0.0011956, 0.00022423, -0.00323518 ], [ -0.0011956, -0.00022423, 0.00323518 ], [ -0.00119661, 0.00022822, -0.00323274 ], [ 0.00119661, -0.00022822, 0.00323274 ] ]

0.000012

4.405583

pbe

true

87f4cfe049c0a759fe6b419b8add9407_166_Ca3Sm3Dy1S8

[ "Cd", "I", "Sb", "Te" ]

5

A2BCD

CdI2SbTe

Cd1 Sb1 Te1 I2

4

[ 1, 1, 1 ]

3

[ [ 6.00174274, 0, 0 ], [ 0, 6.00174274, 0 ], [ 0, 0, 5.85576327 ] ]

agm001714234

[ [ 0, 3.00087137, 0 ], [ 3.00087137, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.927881635 ], [ 3.00087137, 3.00087137, 2.927881635 ] ]

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

[ "I", "I", "Sb", "Te", "Cd" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.9032774, 0, 0 ], [ 0, 0.9032774, 0 ], [ 0, 0, 0.86577946 ] ]

-10.566156

[ 0, 0, 0, 0, 0 ]

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

0

4.243006

pbe

true

572ad382982f17119451a204f00f95d8_123_Cd1Sb1Te1I2

[ "Tl", "U" ]

2

AB

TlU

Tl1 U1

2

[ 1, 1, 1 ]

3

[ [ 3.12406584, -0.00008832, -0.0017828 ], [ -1.56210893, 2.70546164, 0.0018093 ], [ -0.00326946, 0.00194357, 5.79278183 ] ]

mp-1187749

[ [ -0.0008654074144606313, 1.8040870268938083, 1.4487960319158233 ], [ 1.559557543589231, 0.9032271575562315, 4.344012294492076 ] ]

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

[ "U", "Tl" ]

2019-01-11 15:19:21

[ 0.5, 0.5 ]

[ [ 4.01322622, 0.01939495, -0.21045399 ], [ 0.01939495, 4.03789579, 0.11730699 ], [ -0.21045381, 0.11730708, 1.83748201 ] ]

-13.045566

[ 2.15, -0.012 ]

[ [ -0.00004757, 0.00003916, -0.00004117 ], [ 0.00004757, -0.00003916, 0.00004117 ] ]

2.138

10.290763

pbe

true

1723c04ef704a6359ab2d9e11443dd24_187_U1Tl1

[ "Br", "Sb", "Tc" ]

4

A2BC

BrSb2Tc

Tc1 Sb2 Br1

3

[ 1, 1, 1 ]

3

[ [ 3.27000117, -0.0069034, 0 ], [ -1.58195902, 2.86188066, 0 ], [ 0, 0, 10.01045919 ] ]

agm003852724

[ [ 0, 0, 0.0125124733599486 ], [ 0.844021075, 1.42748863, 2.9357843844319236 ], [ 0, 0, 5.025747732887968 ], [ 0.844021075, 1.42748863, 7.0416441943201615 ] ]

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

[ "Sb", "Sb", "Tc", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.4755603, 0.02849063, 0 ], [ 0.02849063, 1.5069009, 0 ], [ 0, 0, 1.1281159 ] ]

-18.372516

[ 0, 0, -0.001, 0 ]

[ [ 0, 0, -0.00324025 ], [ 0, 0, 0.00421987 ], [ 0, 0, 0.00296162 ], [ 0, 0, -0.00394123 ] ]

-0.000871

3.667784

pbe

true

905e1442f07b0cc0a8222cc57cd5e629_35_Tc1Sb2Br1

[ "C", "O", "Pt" ]

5

A3BC

CO3Pt

Pt1 C1 O3

3

[ 1, 1, 1 ]

3

[ [ 3.86006866, 0, 0 ], [ 0, 3.86006866, 0 ], [ 0, 0, 3.86006866 ] ]

agm002437017

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

[ "C", "O", "O", "O", "Pt" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 54.690426, 0, 0 ], [ 0, 54.690426, 0 ], [ 0, 0, 54.690426 ] ]

-22.659816

[ 0.46, -0.12, -0.096, -0.276, -0.268 ]

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

-0.01203

3.438762

pbe

true

4251842fc9564e0a851ffb990d2bc5bb_221_Pt1C1O3

[ "Cd", "P", "Sb" ]

4

A2BC

CdP2Sb

Cd1 Sb1 P2

3

[ 1, 1, 1 ]

3

[ [ 3.83033132, 0, 0 ], [ 0, 2.92228349, 0.00701808 ], [ 0, -1.58367453, 7.62801121 ] ]

agm003910234

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

[ "Cd", "P", "P", "Sb" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.2521834, 0, 0 ], [ 0, 1.9268926, -0.06201041 ], [ 0, -0.06201033, 2.1427033 ] ]

-14.677409

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, -0.00373803, -0.00070439 ], [ 0, 0.00373803, 0.00070439 ], [ 0, 0, 0 ] ]

-0

2.11605

pbe

true

908ba5c86f6256b0e719e10e6b5f5b45_10_Cd1Sb1P2

[ "Ce", "Pr", "Tm" ]

4

A2BC

Ce2PrTm

Ce2 Pr1 Tm1

3

[ 1, 1, 1 ]

3

[ [ 3.37544497, 0, 0 ], [ 1.68772249, 2.9232211, 0 ], [ 1.68772249, 0.97440703, 12.42741246 ] ]

agm001977572

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

[ "Pr", "Tm", "Ce", "Ce" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.130414, 0, 0 ], [ 0, 2.130414, 0 ], [ 0, 0, 2.1386368 ] ]

-20.111873

[ 0.004, 0.034, 0.651, 0.651 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00575678 ], [ 0, 0, 0.00575678 ] ]

1.66676

10.501253

pbe

true

f8568ce7abb45e92635b103d14d5e7ce_166_Ce2Pr1Tm1

[ "Co", "Ir", "Nd" ]

6

ABC

CoIrNd

Nd2 Co2 Ir2

3

[ 1, 1, 1 ]

3

[ [ 4.5281996, -1e-8, 2.54248014 ], [ 1.60468706, 4.4196719, 2.44566486 ], [ 0.00212957, 0.03754143, 5.29984728 ] ]

agm005697370

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

[ "Nd", "Nd", "Co", "Co", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.6342129, 0.12347171, -0.1352201 ], [ 0.12347171, 2.024288, -0.2199054 ], [ -0.1352201, -0.2199054, 1.7991194 ] ]

-43.871995

[ -0.088, -0.088, 0.989, 0.989, 0.081, 0.081 ]

[ [ -0.00185803, 0.00283483, 0.00330917 ], [ 0.00185803, -0.00283483, -0.00330917 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.7899

6.679738

pbe

true

fe0e00b2940e90702f52efdd0781a266_74_Nd2Co2Ir2

[ "Cs", "Ge", "Sn" ]

16

A4B3C

Cs3GeSn4

Cs6 Sn8 Ge2

3

[ 1, 1, 1 ]

3

[ [ 6.64378133, 0, 0 ], [ 0, 7.28296488, 0 ], [ 0, 0, 14.34825824 ] ]

agm006089065

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

[ "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Ge", "Ge", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.375, 0.125, 0.5 ]

[ [ 0.9964934, 0, 0 ], [ 0, 1.2109257, 0 ], [ 0, 0, 1.2225306 ] ]

-49.749828

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

[ [ 0.00261726, 0, 0 ], [ -0.00261726, 0, 0 ], [ 0.0000995, 0, -0.00076245 ], [ 0.0000995, 0, 0.00076245 ], [ -0.0000995, 0, 0.00076245 ], [ -0.0000995, 0, -0.00076245 ], [ 0.01058461, 0, 0 ], [ -0.01058461, 0, 0 ], [ -0.00493542, 0, 0.00027256 ], [ -0.00493542, 0, -0.00027256 ], [ -0.00211588, 0.00233836, 0 ], [ -0.00211588, -0.00233836, 0 ], [ 0.00211588, 0.00233836, 0 ], [ 0.00211588, -0.00233836, 0 ], [ 0.00493542, 0, 0.00027256 ], [ 0.00493542, 0, -0.00027256 ] ]

0

3.417117

pbe

true

9ff891b318ffc9d32642b56014e54f37_59_Cs6Sn8Ge2

[ "Cu", "Pb", "Te" ]

4

A2BC

CuPb2Te

Cu1 Te1 Pb2

3

[ 1, 1, 1 ]

3

[ [ 5.87246868, 0.00040148, -1e-8 ], [ 2.05035352, 5.50290278, -1e-8 ], [ -3.96140777, -2.75164982, 3.34985974 ] ]

agm003894688

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

[ "Cu", "Pb", "Pb", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -1.524441, 0.19567655, -0.00000179 ], [ 0.19567655, -1.6702267, -0.00000124 ], [ -0.00000179, -0.00000124, -1.8061526 ] ]

-13.659539

[ 0, 0, 0, 0 ]

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

-0.000002

2.052684

pbe

true

789e507ee924e24c93d6ec2e308d6be0_139_Cu1Te1Pb2

[ "Ga", "Na", "Sm" ]

6

A4BC

Ga4NaSm

Na1 Sm1 Ga4

3

[ 1, 1, 1 ]

3

[ [ 4.02973705, -1e-8, 1.93671457 ], [ 1.78518291, 5.27639735, 1.44626649 ], [ -0.28222028, 0.02748459, 5.74792876 ] ]

agm005826733

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

[ "Na", "Sm", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 2.4928653, 0.03463866, -0.23183385 ], [ 0.03463866, 2.9904625, -0.0720727 ], [ -0.23183385, -0.0720727, 2.8638237 ] ]

-20.431378

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00099219, -0.00090708, 0.00206445 ], [ 0.00099219, 0.00090708, -0.00206445 ], [ -0.00029706, -0.00236619, 0.0006181 ], [ 0.00029706, 0.00236619, -0.0006181 ] ]

-0.000001

1.699311

pbe

true

8a4b86b99ec34db66215ce13882cad27_71_Na1Sm1Ga4

[ "Ho", "Mg", "Ru" ]

6

ABC

HoMgRu

Ho2 Mg2 Ru2

3

[ 1, 1, 1 ]

3

[ [ 3.41545767, 0, 0 ], [ 0, 4.76394594, 0 ], [ -1.70772884, 0, 7.43381907 ] ]

agm001015959

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

[ "Ru", "Ru", "Ho", "Ho", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.9329557, 0, 0 ], [ 0, 1.7088783, 0 ], [ 0, 0, 2.0051477 ] ]

-32.416384

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

[ [ 0, 0, 0.00092902 ], [ 0, 0, -0.00092902 ], [ 0, 0, -0.00008433 ], [ 0, 0, 0.00008433 ], [ 0, 0, -0.01117598 ], [ 0, 0, 0.01117598 ] ]

0

2.885066

pbe

true

91063859c8ad1ead59952768e6de983c_63_Ho2Mg2Ru2

[ "Ir", "Mg", "Os" ]

4

A2BC

IrMg2Os

Mg2 Ir1 Os1

3

[ 1, 1, 1 ]

3

[ [ 9.52989197, -0.00485424, -0.00284493 ], [ 9.10616954, 2.81007842, -0.00284493 ], [ 9.10616954, 1.37072133, 2.45309435 ] ]

agm004396903

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

[ "Ir", "Mg", "Mg", "Os" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 3.105218, -0.06509558, -0.03815069 ], [ -0.06509558, 3.5278714, -0.0057427 ], [ -0.03815069, -0.0057427, 3.5343044 ] ]

-22.841838

[ 0, 0, 0, 0 ]

[ [ 0.0000462, 0.00000695, 0.00000408 ], [ -0.01049492, -0.00157977, -0.00092586 ], [ -0.00092606, -0.0001394, -0.0000817 ], [ 0.01137479, 0.00171221, 0.00100348 ] ]

0.000022

3.081935

pbe

true

105a925761a92bfc46d721a0a999ee01_160_Mg2Ir1Os1

[ "Mg", "Mo", "Re" ]

4

A2BC

Mg2MoRe

Mg2 Re1 Mo1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.21324429, 3.21324429 ], [ 3.21324429, 0, 3.21324429 ], [ 3.21324429, 3.21324429, 0 ] ]

agm002699197

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

[ "Re", "Mo", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 4.361089, 0, 0 ], [ 0, 4.361089, 0 ], [ 0, 0, 4.361089 ] ]

-23.087866

[ 0.125, 1.435, 0.001, 0.001 ]

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

1.811035

4.350613

pbe

true

bf03a6ae2c285bda2dfce7d6d014e594_225_Mg2Re1Mo1

[ "N", "Pb", "Rb" ]

6

ABC

NPbRb

Rb2 Pb2 N2

3

[ 1, 1, 1 ]

3

[ [ 3.71704898, -0.02713036, 0.05343028 ], [ 1.87442598, 3.16331918, 0.54874328 ], [ 0.26930478, 1.42444894, 14.86926132 ] ]

agm001045169

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

[ "N", "N", "Rb", "Rb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.06729694, -0.00023837, 0.00010308 ], [ -0.0002384, 0.07558951, -0.00667714 ], [ 0.00010304, -0.00667724, 0.11872723 ] ]

-23.903805

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

[ [ 0.00062764, 0.00032305, -0.00302009 ], [ 0.00018678, -0.00046309, 0.00530735 ], [ -0.00022014, 0.00033023, 0.000392 ], [ 0.00048757, -0.00012798, -0.00074007 ], [ 0.00001792, -0.00080081, 0.00312145 ], [ -0.00109977, 0.0007386, -0.00506063 ] ]

0

2.495211

pbe

true

828de5af17a173761e4f80216f7a90e8_1_Rb2Pb2N2

[ "Ag", "Rh", "Tb", "Th" ]

4

ABCD

AgRhTbTh

Tb1 Th1 Ag1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 5.09833712, 0, 0 ], [ 2.54916856, 4.41528946, 0 ], [ 2.54916856, 1.47176315, 4.16277482 ] ]

agm001353262

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

[ "Rh", "Tb", "Ag", "Th" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.9128535, 0, 0 ], [ 0, 3.9128535, 0 ], [ 0, 0, 3.9128535 ] ]

-24.05907

[ 0, 0, 0, 0 ]

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

0.00002

2.790013

pbe

true

387bd12234ec01f12801b302562c0a25_216_Tb1Th1Ag1Rh1

[ "Al", "Au", "Fe", "Ge" ]

5

A2BCD

Al2AuFeGe

Al2 Fe1 Ge1 Au1

4

[ 1, 1, 1 ]

3

[ [ 4.54579701, 0, 0 ], [ 0, 4.40367236, 0 ], [ 0, 0, 4.54579701 ] ]

agm001493384

[ [ 0, 2.20183618, 0 ], [ 2.272898505, 2.20183618, 2.272898505 ], [ 0, 0, 0 ], [ 0, 0, 2.272898505 ], [ 2.272898505, 0, 0 ] ]

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

[ "Ge", "Au", "Fe", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 2.8696585, 0, 0 ], [ 0, 2.6692114, 0 ], [ 0, 0, 2.8696585 ] ]

-23.584842

[ 0, 0, 0, 0, 0 ]

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

0

1.903511

pbe

true

565249973a7dbd5137de9424041fe1d1_123_Al2Fe1Ge1Au1

[ "Al", "Ca", "Eu", "Sm" ]

4

ABCD

AlCaEuSm

Ca1 Sm1 Eu1 Al1

4

[ 1, 1, 1 ]

3

[ [ 5.55205396, 0, 0 ], [ 2.77602698, 4.80821977, 0 ], [ 2.77602698, 1.60273992, 4.53323308 ] ]

agm001408130

[ [ 0, 0, 0 ], [ 2.77602698, 1.6027399225, 1.13330827 ], [ 8.32808094, 4.8082197675, 3.39992481 ], [ 5.55205396, 3.205479845, 2.26661654 ] ]

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

[ "Eu", "Ca", "Al", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.4173908, 0, 0 ], [ 0, 1.4173908, 0 ], [ 0, 0, 1.4173908 ] ]

-20.898276

[ 6.874, 0.038, -0.022, 0.053 ]

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

7.322631

9.449565

pbe

true

452786f61264ca89999200d0d03f48ea_216_Ca1Sm1Eu1Al1

[ "Au", "Cs", "Rb", "Te" ]

5

A2BCD

AuCs2RbTe

Cs2 Rb1 Te1 Au1

4

[ 1, 1, 1 ]

3

[ [ 7.25073808, 2e-8, 0 ], [ 2.7e-7, 7.25065596, -0.00000619 ], [ 1.3e-7, 0.00027749, 7.06458289 ] ]

agm004988967

[ [ 7.250738259987404, 3.6255360216699026, 6.385096202885407 ], [ 3.625369354984824, 7.250749289899985, 6.385184947560903 ], [ 5.513279264e-7, 7.25070856248183, 3.467557215320837 ], [ 6.528374897999999e-7, 0.0000606092529216, 0.0146088509069778 ], [ 3.6253685408634277, 3.625774764303306, 4.941282812655408 ] ]

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

[ "Cs", "Cs", "Rb", "Te", "Au" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.5273002, 2e-8, 1e-8 ], [ 2e-8, 0.5272882, 0.00002048 ], [ 1e-8, 0.00002048, 0.53278345 ] ]

-12.002207

[ 0, 0, 0, 0, 0 ]

[ [ 0, -2e-7, -0.00509664 ], [ 0, -2e-7, -0.00509664 ], [ 0, 1.8e-7, 0.00461129 ], [ 0, 2e-8, 0.00055419 ], [ 0, 2e-7, 0.0050278 ] ]

-0

0

pbe

true

3172d36ab7468e4457e3eff0a29c563d_99_Cs2Rb1Te1Au1

[ "Co", "K", "O", "Ru" ]

12

A8B2CD

CoKO8Ru2

K1 Co1 Ru2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.10309494, -0.51448085, 0.58323977 ], [ 1.89756499, 4.7650305, 0.58323977 ], [ 1.30722741, 0.7937016, 7.04576917 ] ]

agm004876849

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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]

[ "K", "Co", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.08333333333333333, 0.6666666666666666, 0.16666666666666666 ]

[ [ 0.8835832, -0.01097814, -0.0759046 ], [ -0.01097814, 0.89499867, -0.04608655 ], [ -0.07590439, -0.04608642, 0.95863926 ] ]

-75.572551

[ -0.001, 2.435, -0.286, -0.286, -0.048, -0.005, 0.008, 0.008, -0.005, -0.048, -0.048, -0.048 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00139076, -0.00084442, -0.00582212 ], [ 0.00139076, 0.00084442, 0.00582212 ], [ -0.00165225, -0.00142958, -0.00033722 ], [ 0.0007379, 0.00044803, 0.0031018 ], [ -0.00319663, -0.00194088, 0.00005238 ], [ 0.00319663, 0.00194088, -0.00005238 ], [ -0.0007379, -0.00044803, -0.0031018 ], [ -0.00203057, -0.00080649, -0.00033722 ], [ 0.00203057, 0.00080649, 0.00033722 ], [ 0.00165225, 0.00142958, 0.00033722 ] ]

1.597724

4.639766

pbe

true

79ecc7a77c84446800ac080724a9aaba_12_K1Co1Ru2O8

[ "Co", "Nb", "Ni", "Si" ]

5

A2BCD

CoNb2NiSi

Nb2 Co1 Si1 Ni1

4

[ 1, 1, 1 ]

3

[ [ 4.54183273, 0, 0 ], [ 0, 4.24222285, 0 ], [ 0, 0, 4.54183273 ] ]

agm001544867

[ [ 0, 0, 0 ], [ 0, 0, 2.270916365 ], [ 2.270916365, 0, 0 ], [ 0, 2.121111425, 0 ], [ 2.270916365, 2.121111425, 2.270916365 ] ]

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

[ "Ni", "Nb", "Nb", "Co", "Si" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ -1.475256, 0, 0 ], [ 0, -1.9063642, 0 ], [ 0, 0, -1.475256 ] ]

-34.265451

[ 0.126, -0.04, 0.057, 1.387, 0.008 ]

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

1.494034

6.862153

pbe

true

7837bf7b989572f46b0b832137a39eb6_123_Nb2Co1Si1Ni1

[ "Li", "Ni", "Se", "Zr" ]

16

A8B4C3D

Li4NiSe8Zr3

Li4 Zr3 Ni1 Se8

4

[ 1, 1, 1 ]

3

[ [ 7.57876535, 0, 0 ], [ 0, 7.82863197, 0.16721712 ], [ -3.78938268, -3.78507601, 5.36429329 ] ]

agm004720793

[ [ 3.789382675, 0, 0 ], [ 1.894691335, -1.892538005, 2.682146645 ], [ 0, 0, 0 ], [ -1.89469134, -1.892538005, 2.682146645 ], [ 3.789382675, 3.914315985, 0.08360856 ], [ 1.894691335, 2.02177798, 2.765755205 ], [ -1.89469134, 2.02177798, 2.765755205 ], [ 0, 3.914315985, 0.08360856 ], [ -1.9534739896664508, 2.019060381882927, 5.48371611778498 ], [ -4.031609690056944e-8, 3.970554344445429, 2.7227304523773608 ], [ -2.4922524475538e-9, 0.05110134830609455, 2.7152249246301965 ], [ 1.95347397967481, 2.019060381882927, 5.48371611778498 ], [ 1.8359086903251898, 2.024495578117073, 0.04779429221502 ], [ 3.789382672492253, 3.9924546116939053, 2.8162854853698036 ], [ 3.789382710316097, 0.07300161555457095, 2.808779957622639 ], [ 5.742856659666451, 2.024495578117073, 0.04779429221502 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Li", "Li", "Li", "Li", "Zr", "Zr", "Zr", "Ni", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.0625, 0.5, 0.1875 ]

[ [ -0.40169927, 0, 0 ], [ 0, -0.4104738, 0.04994264 ], [ 0, 0.04989994, -0.44728166 ] ]

-85.32337

[ 0.013, 0, 0, 0, 0.006, 0.007, 0.007, 1.013, 0.042, 0.042, 0, 0.042, 0.042, 0, 0.042, 0.042 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00014065, 0.002719, -0.00029418 ], [ 0, -0.00161736, -0.00305045 ], [ 0, 0.00343545, -0.00219674 ], [ 0.00014065, 0.002719, -0.00029418 ], [ -0.00014065, -0.002719, 0.00029418 ], [ 0, -0.00343545, 0.00219674 ], [ 0, 0.00161736, 0.00305045 ], [ 0.00014065, -0.002719, 0.00029418 ] ]

1.458218

7.123701

pbe

true

1e6217958bdb48a60bdfa38523ef7d05_166_Li4Zr3Ni1Se8

[ "Li", "S", "Sb", "Y" ]

5

A2BCD

LiSSbY2

Li1 Y2 Sb1 S1

4

[ 1, 1, 1 ]

3

[ [ 5.38647856, 0, 0 ], [ 0, 5.38647856, 0 ], [ 0, 0, 3.99408781 ] ]

agm001422234

[ [ 0, 2.69323928, 0 ], [ 2.69323928, 0, 0 ], [ 2.69323928, 2.69323928, 1.997043905 ], [ 0, 0, 1.997043905 ], [ 0, 0, 0 ] ]

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

[ "Y", "Y", "Sb", "S", "Li" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -0.05147357, 0, 0 ], [ 0, -0.05147357, 0 ], [ 0, 0, 0.1546979 ] ]

-25.638626

[ 0.223, 0.223, -0.018, -0.009, 0.046 ]

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

0.858604

2.847775

pbe

true

7c8916adc0ceba91e6d29144235e8e4c_123_Li1Y2Sb1S1

[ "Mg", "O", "Sr", "Tc" ]

20

A12B4C3D

MgO12Sr4Tc3

Sr4 Mg1 Tc3 O12

4

[ 1, 1, 1 ]

3

[ [ 6.88389837, 0, 0 ], [ -2.29463279, 6.49020161, 0 ], [ -2.29463279, -3.24510081, 5.62067947 ] ]

agm004704365

[ [ 1.1473163949999996, 1.6225504, 2.810339735 ], [ -1.147316395, -1.622550405, 2.810339735 ], [ 3.441949185, 0, 0 ], [ -1.147316395, 3.245100805, 0 ], [ 0, 0, 0 ], [ 2.2946327899999996, -1.622550405, 2.810339735 ], [ 2.2946327899999996, 3.245100805, 0 ], [ -2.29463279, 1.6225504, 2.810339735 ], [ -1.1473163950000003, 0.8112751975, 4.2155096025 ], [ 1.1195245828226688, 4.076027781338222, 4.18147172314519 ], [ 1.175108207177331, -0.8309269813382222, 1.43920774685481 ], [ 3.441949185, 2.4338256025, 1.4051698675 ], [ 1.1195245828226685, 1.5832468398841137, 5.62067947 ], [ 1.175108207177331, 1.6618539601158862, 0 ], [ 3.4419491849999995, -2.4999999848063226e-9, 2.810339735 ], [ -1.1473163950000003, 3.2451008024999997, 2.810339735 ], [ 1.1473163949999998, -0.8112752049999999, 4.2155096025 ], [ -3.4141573728226686, 2.414173821222336, 4.18147172314519 ], [ 1.1473163949999998, 4.056376005, 1.4051698675 ], [ 5.708790162822669, 0.830926978777664, 1.43920774685481 ] ]

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

[ "Sr", "Sr", "Sr", "Sr", "Mg", "Tc", "Tc", "Tc", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.05, 0.6, 0.2, 0.15 ]

[ [ 0.8996119, 0, 0 ], [ 0, 0.8996119, 0 ], [ 0, 0, 0.8996119 ] ]

-143.08314

[ 0.002, 0.002, 0.002, 0.002, -0.001, 0.207, 0.207, 0.207, -0.005, 0.029, 0.029, -0.005, 0.029, 0.029, -0.005, -0.005, -0.005, 0.029, -0.005, 0.029 ]

[ [ 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 ], [ -0.0026782, 0.00189377, -0.00328011 ], [ 0.0026782, -0.00189377, 0.00328011 ], [ 0, 0, 0 ], [ -0.0026782, -0.00378754, 0 ], [ 0.0026782, 0.00378754, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0026782, -0.00189377, -0.00328011 ], [ 0, 0, 0 ], [ -0.0026782, 0.00189377, 0.00328011 ] ]

0.874684

5.761811

pbe

true

578f99b4939457ef0df4dbc291797b89_229_Sr4Mg1Tc3O12

[ "Dy", "Tb", "Th" ]

12

A7B4C

Dy7TbTh4

Tb1 Dy7 Th4

3

[ 1, 1, 1 ]

3

[ [ 3.57111851, 0, 0 ], [ -1.78555925, 3.09267914, 0 ], [ 0, 0, 34.56888594 ] ]

agm006067713

[ [ 0, 0, 17.28444297 ], [ 0, 0, 0 ], [ -0.0000017822259201164298, 2.06178712422638, 14.361984858677229 ], [ 1.78556104222592, 1.0308920157736199, 20.206901081322776 ], [ -0.0000017822259201164298, 2.06178712422638, 5.69662399849557 ], [ 1.78556104222592, 1.0308920157736199, 28.872261941504433 ], [ 0, 0, 25.871225641240304 ], [ 0, 0, 8.697660298759697 ], [ -0.0000017822259201164298, 2.06178712422638, 31.679461856081492 ], [ 1.78556104222592, 1.0308920157736199, 2.8894240839185086 ], [ -0.0000017822259201164298, 2.06178712422638, 23.057408204827748 ], [ 1.78556104222592, 1.0308920157736199, 11.511477735172253 ] ]

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

[ "Tb", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Th", "Th", "Th", "Th" ]

2023-11-16 06:57:59

[ 0.5833333333333334, 0.08333333333333333, 0.3333333333333333 ]

[ [ 0.3509995, 0, 0 ], [ 0, 0.35099944, 0 ], [ 0, 0, 0.44680274 ] ]

-66.282321

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00033547 ], [ 0, 0, -0.00033547 ], [ 0, 0, 0.00127485 ], [ 0, 0, -0.00127485 ], [ 0, 0, -0.00394805 ], [ 0, 0, 0.00394805 ], [ 0, 0, -0.001192 ], [ 0, 0, 0.001192 ], [ 0, 0, 0.019572 ], [ 0, 0, -0.019572 ] ]

0.000012

16.82945

pbe

true

46cfb8c75ac5a2213e0f1414c0184a04_164_Tb1Dy7Th4

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

6

ABC

GeHTe

Ge2 Te2 H2

3

[ 1, 1, 1 ]

3

[ [ 3.98572053, -0.39583964, 0.5574626 ], [ -1.36670429, 7.98770592, 2.47086187 ], [ -0.74147016, -1.48684459, 4.35044096 ] ]

agm003600055

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

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

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.7956765, -0.10644958, -0.01581741 ], [ -0.10644951, 2.3030496, 0.05929415 ], [ -0.01581727, 0.05929403, 2.5154064 ] ]

-22.411085

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

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0

0.790526

pbe

true

c444600f78e4b5de0ecdac1850cc57b1_1_Ge2Te2H2

[ "Ge", "In", "Ir" ]

28

A3B3C

Ge3InIr3

In4 Ge12 Ir12

3

[ 1, 1, 1 ]

3

[ [ 7.73442731, 0, 0 ], [ 0, 7.73442731, 9.7e-7 ], [ 0, 9.7e-7, 7.73442633 ] ]

agm005966946

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[ "In", "In", "In", "In", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.42857142857142855, 0.14285714285714285, 0.42857142857142855 ]

[ [ 2.55492, 0, 0 ], [ 0, 2.55492, 6.4e-7 ], [ 0, 6.4e-7, 2.5549192 ] ]

-171.928228

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0

13.577072

pbe

true

da3c742bba29cfa56c0738a71852738f_198_In4Ge12Ir12

[ "Hf", "Hg", "Te" ]

32

A2BC

HfHgTe2

Hf8 Hg8 Te16

3

[ 1, 1, 1 ]

3

[ [ 17.41694878, 0, 2.99352542 ], [ 1.82582958, 6.74776416, -3.86923062 ], [ -1.82582958, 6.74776416, 3.86923062 ] ]

agm003149279

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

[ "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.7257981, 0, 0.05829683 ], [ 0, 1.5390353, 0 ], [ 0.05829697, 0, 1.7578263 ] ]

-146.183957

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0

pbe

true

10137b64f9433c7532aa5b63596e858a_15_Hf8Hg8Te16

[ "Ho", "Pr", "Tl" ]

18

A6B2C

Ho2Pr6Tl

Pr12 Ho4 Tl2

3

[ 1, 1, 1 ]

3

[ [ 6.62296387, 0, 0.89303746 ], [ 0, 8.45242112, 0 ], [ 0.27595843, 0, 11.23930933 ] ]

agm003491174

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

[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Ho", "Ho", "Ho", "Ho", "Tl", "Tl" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.6666666666666666, 0.1111111111111111 ]

[ [ 0.6773575, 0, 0.00348139 ], [ 0, 0.64571637, 0 ], [ 0.00348135, 0, 0.7710568 ] ]

-79.148801

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[ [ -0.00156895, -0.00330711, 0.0012126 ], [ -0.00252724, -0.00285353, 0.00154789 ], [ 0.00199329, 0.00414961, 0.00051512 ], [ -0.00199329, 0.00414961, -0.00051512 ], [ 0.00252724, -0.00285353, -0.00154789 ], [ 0.00156895, -0.00330711, -0.0012126 ], [ 0.00156895, 0.00330711, -0.0012126 ], [ 0.00252724, 0.00285353, -0.00154789 ], [ -0.00199329, -0.00414961, -0.00051512 ], [ 0.00199329, -0.00414961, 0.00051512 ], [ -0.00252724, 0.00285353, 0.00154789 ], [ -0.00156895, 0.00330711, 0.0012126 ], [ -0.00134059, 0.001034, -0.00104496 ], [ 0.00134059, 0.001034, 0.00104496 ], [ -0.00134059, -0.001034, -0.00104496 ], [ 0.00134059, -0.001034, 0.00104496 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000001

26.275568

pbe

true

925d57c6eb639b6c653815b3560da47b_14_Pr12Ho4Tl2

[ "Li", "Lu", "Ni" ]

3

ABC

LiLuNi

Li1 Lu1 Ni1

3

[ 1, 1, 1 ]

3

[ [ 3.34997217, 0, 0 ], [ 0, 3.34997217, 0 ], [ -1.67498609, -1.67498609, 4.63353713 ] ]

agm001848270

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

[ "Ni", "Lu", "Li" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -3.0734992, 0, 0 ], [ 0, -3.0734992, 0 ], [ 0, 0, -3.7084718 ] ]

-12.62345

[ 0, 0, 0 ]

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-0.000002

1.979811

pbe

true

edd0924b190ea3e82b4876f6fb16d1fe_107_Li1Lu1Ni1

[ "Lu", "Mg", "Tc" ]

4

A2BC

Lu2MgTc

Lu2 Mg1 Tc1

3

[ 1, 1, 1 ]

3

[ [ 3.71652253, 0, 0 ], [ 0, 4.80876626, 0 ], [ 0, 0, 4.80876626 ] ]

agm001214829

[ [ 1.858261265, 0, 0 ], [ 0, 0, 2.40438313 ], [ 0, 2.40438313, 0 ], [ 1.858261265, 2.40438313, 2.40438313 ] ]

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

[ "Mg", "Lu", "Lu", "Tc" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.4334104, 0, 0 ], [ 0, 1.2454426, 0 ], [ 0, 0, 1.2454426 ] ]

-20.903561

[ 0, 0, 0, 0 ]

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

-0.000012

4.629251

pbe

true

eba183743c0beb9ddc0bc7c329a36aad_123_Lu2Mg1Tc1

[ "Mg", "Pm", "Tb" ]

19

A12B5C2

Mg2Pm5Tb12

Tb12 Pm5 Mg2

3

[ 1, 1, 1 ]

3

[ [ 9.24951381, 0, 0 ], [ -4.62475691, 11.19496835, -1.69245828 ], [ 0, -5.20645317, 6.69485372 ] ]

agm003371747

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

[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Pm", "Pm", "Pm", "Pm", "Pm", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.10526315789473684, 0.2631578947368421, 0.631578947368421 ]

[ [ 0.30733168, 0, 0 ], [ 0, 0.3574557, -0.00999863 ], [ 0, -0.00999859, 0.27365276 ] ]

-80.751586

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

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-0.000011

27.792103

pbe

true

1bf6fbafd4d18709bd08f74b760b7103_12_Tb12Pm5Mg2

[ "Nd", "Sm", "Tb" ]

16

A12B3C

NdSm12Tb3

Tb3 Nd1 Sm12

3

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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Rb2 Y2 Zr2

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2023-11-16 06:57:59

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CSc2TlV

Sc2 Tl1 V1 C1

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2023-11-16 06:57:59

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Cl12Ge3LiRb4

Rb4 Li1 Ge3 Cl12

4

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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[ 1, 1, 1 ]

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2023-11-16 06:57:59

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Sm1 Al1 Pd2

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agm002135150

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

[ "Pd", "Pd", "Sm", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.1380622, 0, 0 ], [ 0, 2.1380622, 0 ], [ 0, 0, 2.1380622 ] ]

-21.876007

[ 0, 0, 0, 0 ]

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

0

2.200253

pbe

true

0a94b242cd1c2593509315cd1655d9ee_225_Sm1Al1Pd2

[ "Au", "Ca", "Cl" ]

4

A2BC

Au2CaCl

Ca1 Au2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.93921503, 0, 0 ], [ 0, 3.93921503, 0 ], [ 0, 0, 5.7465266 ] ]

agm003920641

[ [ 1.969607515, 0, 2.8732633 ], [ 0, 0, 0 ], [ 1.969607515, 1.969607515, 0 ], [ 0, 1.969607515, 2.8732633 ] ]

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

[ "Ca", "Au", "Au", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.6147423, 0, 0 ], [ 0, 2.6147423, 0 ], [ 0, 0, 2.1892142 ] ]

-14.078886

[ 0, 0, 0, 0 ]

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

0

1.37283

pbe

true

ce0814cb25b12ef2604ec25544433648_123_Ca1Au2Cl1

[ "Au", "Dy", "Ga" ]

17

A12B4C

AuDy4Ga12

Dy4 Ga12 Au1

3

[ 1, 1, 1 ]

3

[ [ 7.51620252, 0, 0 ], [ -2.50540084, 7.08634369, 0 ], [ -2.50540084, -3.54317184, 6.13695365 ] ]

agm003588942

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

[ "Dy", "Dy", "Dy", "Dy", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Au" ]

2023-11-16 06:57:59

[ 0.058823529411764705, 0.23529411764705882, 0.7058823529411765 ]

[ [ 3.1822643, 0, 0 ], [ 0, 3.1822643, 0 ], [ 0, 0, 3.1822643 ] ]

-67.272662

[ 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 ], [ 0.00191131, -0.0013515, -0.00234087 ], [ -0.00191131, 0.0013515, 0.00234087 ], [ 0.00191131, 0.00270301, 0 ], [ -0.00191131, -0.00270301, 0 ], [ -0.00191131, 0.0013515, -0.00234087 ], [ 0.00191131, -0.0013515, 0.00234087 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000014

7.079732

pbe

true

675feb4689d541b11a9a12630b8e8012_229_Dy4Ga12Au1

[ "Be", "Ce", "Tb" ]

3

ABC

BeCeTb

Tb1 Ce1 Be1

3

[ 1, 1, 1 ]

3

[ [ 3.44743519, 0, 0 ], [ 0, 3.44743519, 0 ], [ -1.72371759, -1.72371759, 6.00081184 ] ]

agm001840674

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

[ "Be", "Tb", "Ce" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.5274712, 0, 0 ], [ 0, 1.5274712, 0 ], [ 0, 0, 1.4059652 ] ]

-13.797441

[ -0.002, 0.119, 0.675 ]

[ [ 0, 0, -0.0009245 ], [ 0, 0, -0.00096638 ], [ 0, 0, 0.00189089 ] ]

1.045137

5.020319

pbe

true

62f3f3c8a70f4302e1c190a5b3a7d2f4_107_Tb1Ce1Be1

[ "C", "Cu", "V" ]

5

A3BC

CCuV3

V3 Cu1 C1

3

[ 1, 1, 1 ]

3

[ [ 4.37643664, 0, 0 ], [ 0, 4.37643664, 0 ], [ 0, 0, 4.37643664 ] ]

agm002434854

[ [ 2.18821832, 2.18821832, 2.18821832 ], [ 0, 0, 0 ], [ 0, 2.18821832, 0 ], [ 0, 0, 2.18821832 ], [ 2.18821832, 0, 0 ] ]

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

[ "C", "Cu", "V", "V", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -0.0332386, 0, 0 ], [ 0, -0.0332386, 0 ], [ 0, 0, -0.0332386 ] ]

-29.499656

[ -0.191, 0.091, 1.318, 1.318, 1.318 ]

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

4.233541

6.750222

pbe

true

cd619cec5bee31daeda17dcce2b83aee_221_V3Cu1C1

[ "Cd", "Ta", "Y" ]

4

A2BC

CdTaY2

Y2 Ta1 Cd1

3

[ 1, 1, 1 ]

3

[ [ 5.14254701, 0, 0 ], [ 2.5712735, 4.45357635, 0 ], [ 2.5712735, 1.48452545, 4.19887205 ] ]

agm003889925

[ [ 5.142547005000001, 2.9690509, 2.099436025 ], [ 7.7138205075, 4.45357635, 3.1491540375000002 ], [ 0, 0, 0 ], [ 2.5712735025000004, 1.48452545, 1.0497180125 ] ]

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

[ "Cd", "Ta", "Y", "Y" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.4261496, 0, 0 ], [ 0, 2.4261496, 0 ], [ 0, 0, 2.4261496 ] ]

-24.105531

[ 0, 0.007, 0.003, 0 ]

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

0.014545

7.087016

pbe

true

9b301d2376e4c67742932536a8e85355_216_Y2Ta1Cd1

[ "Cs", "Hg", "Na" ]

5

A3BC

CsHgNa3

Cs1 Na3 Hg1

3

[ 1, 1, 1 ]

3

[ [ 7.79427383, 0, 0 ], [ 0, 7.79427383, 0 ], [ 0, 0, 7.79427383 ] ]

agm002543999

[ [ 0, 0, 0 ], [ 0, 3.897136915, 0 ], [ 0, 0, 3.897136915 ], [ 3.897136915, 0, 0 ], [ 3.897136915, 3.897136915, 3.897136915 ] ]

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

[ "Cs", "Na", "Na", "Na", "Hg" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 0.26915547, 0, 0 ], [ 0, 0.26915547, 0 ], [ 0, 0, 0.26915547 ] ]

-2.66826

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

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

0.000003

6.704409

pbe

true

5c2d79072886b5254a61cb1d3167e3eb_221_Cs1Na3Hg1

[ "Cu", "Eu", "O" ]

4

A2BC

CuEuO2

Eu1 Cu1 O2

3

[ 1, 1, 1 ]

3

[ [ 2.9546147, 0, 0 ], [ 0, 2.9546147, 0 ], [ 0, 0, 5.73462367 ] ]

agm001117466

[ [ 1.47730735, 1.47730735, 2.867311835 ], [ 0, 0, 4.234155085776748 ], [ 0, 0, 1.5004685842232526 ], [ 1.47730735, 1.47730735, 0 ] ]

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

[ "Eu", "O", "O", "Cu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -0.24110855, 0, 0 ], [ 0, -0.24110855, 0 ], [ 0, 0, 0.36427614 ] ]

-28.80463

[ 6.496, -0.185, -0.185, -0.197 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00141152 ], [ 0, 0, 0.00141152 ], [ 0, 0, 0 ] ]

5.991161

3.371032

pbe

true

82a35c584a3e250037b4460a2d5bae3a_123_Eu1Cu1O2

[ "Dy", "Th", "Y" ]

17

A10B6C

Dy10ThY6

Dy10 Y6 Th1

3

[ 1, 1, 1 ]

3

[ [ 6.84622596, 0, 0 ], [ 0, 8.35917028, -4.82616983 ], [ 0, 0, 9.65233867 ] ]

agm006091596

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

[ "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Y", "Y", "Y", "Y", "Y", "Y", "Th" ]

2023-11-16 06:57:59

[ 0.5882352941176471, 0.058823529411764705, 0.35294117647058826 ]

[ [ 0.60205775, 0, 0 ], [ 0, 0.65249443, -4e-8 ], [ 0, -4e-8, 0.6524945 ] ]

-89.633029

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

[ [ 0.00157769, -0.00282878, -0.00163319 ], [ 0.00157769, 0, 0.00326639 ], [ 0.00157769, 0.00282878, -0.00163319 ], [ -0.00157769, 0.00282878, 0.00163319 ], [ -0.00157769, 0, -0.00326639 ], [ -0.00157769, -0.00282878, 0.00163319 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00385307, -0.00325896, -0.00188156 ], [ -0.00385307, 0, 0.00376312 ], [ -0.00385307, 0.00325896, -0.00188156 ], [ 0.00385307, 0.00325896, 0.00188156 ], [ 0.00385307, 0, -0.00376312 ], [ 0.00385307, -0.00325896, 0.00188156 ], [ 0, 0, 0 ] ]

-0.000033

26.49675

pbe

true

a0161df06c911896ed7a8f9b9f4d6618_162_Dy10Y6Th1

[ "Er", "Pa", "Tc" ]

3

ABC

ErPaTc

Er1 Pa1 Tc1

3

[ 1, 1, 1 ]

3

[ [ 3.29118635, 0, 0 ], [ 0, 4.76476537, 0 ], [ 0, -2.38238269, 4.12640786 ] ]

agm001274383

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

[ "Pa", "Tc", "Er" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.041297, 0, 0 ], [ 0, 2.802079, 0 ], [ 0, 0, 2.802079 ] ]

-24.276253

[ 0, 0, 0 ]

[ [ -0.00023709, 0, 0 ], [ 0.00222051, 0, 0 ], [ -0.00198342, 0, 0 ] ]

-0.00001

4.432324

pbe

true

75ee4eb8cd12cd5a3fa6e7bff5d6e509_156_Er1Pa1Tc1

[ "F", "Rb", "Te" ]

22

A7B3C

F7Rb3Te

Rb6 Te2 F14

3

[ 1, 1, 1 ]

3

[ [ 6.29606728, 0, 0 ], [ 0, 8.49630853, 0 ], [ 0, 0, 8.49630853 ] ]

agm005982502

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

[ "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Te", "Te", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.6363636363636364, 0.2727272727272727, 0.09090909090909091 ]

[ [ 1.5270529, 0, 0 ], [ 0, 1.2959596, 0 ], [ 0, 0, 1.2959596 ] ]

-93.30797

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[ [ 0, -0.00159759, -0.00159759 ], [ 0, -0.00159759, 0.00159759 ], [ 0, 0.00159759, -0.00159759 ], [ 0, 0.00159759, 0.00159759 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00123435, -0.0006196, -0.0006196 ], [ 0.00123435, 0.0006196, 0.0006196 ], [ 0.00123435, 0.0006196, -0.0006196 ], [ 0.00123435, -0.0006196, 0.0006196 ], [ -0.00123435, -0.0006196, -0.0006196 ], [ -0.00123435, -0.0006196, 0.0006196 ], [ -0.00123435, 0.0006196, -0.0006196 ], [ -0.00123435, 0.0006196, 0.0006196 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00014798, -0.00014798 ], [ 0, -0.00014798, 0.00014798 ], [ 0, 0.00014798, -0.00014798 ], [ 0, 0.00014798, 0.00014798 ] ]

0.225634

0

pbe

true

632fab6e1c2744872c065b5ed2097b99_127_Rb6Te2F14

[ "Ge", "I", "Sb", "Tl" ]

5

A2BCD

GeI2SbTl

Tl1 Ge1 Sb1 I2

4

[ 1, 1, 1 ]

3

[ [ 5.91462483, 0, 0 ], [ 0, 5.91462483, 0 ], [ 0, 0, 5.62153317 ] ]

agm001711193

[ [ 0, 2.957312415, 0 ], [ 2.957312415, 0, 0 ], [ 0, 0, 2.810766585 ], [ 2.957312415, 2.957312415, 2.810766585 ], [ 0, 0, 0 ] ]

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

[ "I", "I", "Sb", "Tl", "Ge" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

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A2B2C

Hf2N2O

Hf8 N8 O4

3

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3

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2014-05-07 14:15:36

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[]

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pbe

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aedd418c3f2b612052ac0bfb37b6c686_62_Hf8N8O4

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10

A4B3C2D

Cu2MgNa3O4

Cu2 Mg1 Na3 O4

4

[ 1, 1, 1 ]

3

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[ "Na", "Na", "Na", "Mg", "Cu", "Cu", "O", "O", "O", "O" ]

2022-04-30 06:34:36

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4

A3B

AlIn3

Al1 In3

2

[ 1, 1, 1 ]

3

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[ "Al", "In", "In", "In" ]

2023-11-16 06:57:59

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F5Sb

Sb2 F10

2

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[ "Sb", "Sb", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

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pbe

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A5B

GeMo5

Ge1 Mo5

2

[ 1, 1, 1 ]

3

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[ "Mo", "Mo", "Mo", "Mo", "Mo", "Ge" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.8333333333333334 ]

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[ "Ag", "Co", "Si" ]

4

A2BC

AgCoSi2

Co1 Si2 Ag1

3

[ 1, 1, 1 ]

3

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[ "Ag", "Co", "Si", "Si" ]

2023-11-16 06:57:59

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[ "Ag", "Te", "Tm" ]

11

A5B4C2

Ag4Te5Tm2

Tm2 Ag4 Te5

3

[ 1, 1, 1 ]

3

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[ "Tm", "Tm", "Ag", "Ag", "Ag", "Ag", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

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pbe

true

41e2beb06756f618d90850564cc12887_166_Tm2Ag4Te5

[ "Al", "Na", "Sn" ]

6

ABC

AlNaSn

Na2 Al2 Sn2

3

[ 1, 1, 1 ]

3

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[ "Na", "Na", "Sn", "Sn", "Al", "Al" ]

2023-11-16 06:57:59

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pbe

true

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[ "Al", "Na", "Tl" ]

5

A3BC

Al3NaTl

Na1 Al3 Tl1

3

[ 1, 1, 1 ]

3

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agm002546418

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[ "Na", "Tl", "Al", "Al", "Al" ]

2023-11-16 06:57:59

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db65a19ca65efb8f67334d5f0281d0e3_221_Na1Al3Tl1

[ "Au", "Ba", "K" ]

4

A2BC

AuBa2K

K1 Ba2 Au1

3

[ 1, 1, 1 ]

3

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[ "Au", "Ba", "Ba", "K" ]

2023-11-16 06:57:59

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ABC

BaOPt

Ba4 Pt4 O4

3

[ 1, 1, 1 ]

3

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[ "O", "O", "O", "O", "Ba", "Ba", "Ba", "Ba", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

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f05a1feceb230e67e7de127a8001116c_63_Ba4Pt4O4

[ "Be", "Hg", "Pt" ]

6

A4BC

Be4HgPt

Be4 Hg1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.22729866, 3.22729866 ], [ 3.22729866, 0, 3.22729866 ], [ 3.22729866, 3.22729866, 0 ] ]

agm005445206

[ [ 2.4087363743195533, 4.045860977953433, 4.045860977953433 ], [ 4.045860977953433, 4.045860977953433, 2.4087363743195533 ], [ 4.045860977953433, 2.4087363743195533, 4.045860977953433 ], [ 2.4087363743195533, 2.4087363743195533, 2.4087363743195533 ], [ 4.84094799, 4.84094799, 4.84094799 ], [ 0, 0, 0 ] ]

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

[ "Be", "Be", "Be", "Be", "Hg", "Pt" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 0.03451166, 0, 0 ], [ 0, 0.03451166, 0 ], [ 0, 0, 0.03451166 ] ]

-21.963465

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

[ [ 0.00029709, -0.00029709, -0.00029709 ], [ -0.00029709, -0.00029709, 0.00029709 ], [ -0.00029709, 0.00029709, -0.00029709 ], [ 0.00029709, 0.00029709, 0.00029709 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000009

1.17941

pbe

true

a327c939ee44991ae17cce65d005ad81_216_Be4Hg1Pt1

[ "C", "N", "Pm" ]

14

A4B2C

C2N4Pm

Pm2 C4 N8

3

[ 1, 1, 1 ]

3

[ [ 8.36033028, -2.76587842, -0.89745237 ], [ -7.00784338, 5.33239555, -0.89853356 ], [ 1.45428611, 2.760949, 8.27970703 ] ]

agm005927845

[ [ 2.960744194198264, 0.9613574641806804, 1.1722550789796387 ], [ -0.49178429489706554, 3.7241901076363577, 5.760415482435676 ], [ 3.688164225432182, 2.3418113209818054, 5.3121241224287665 ], [ -0.5436105887036272, 3.6275279072191653, 0.7224687754641621 ], [ 6.786384663328949, 0.6944918968094107, 4.338767036271329 ], [ 0.5903179680411557, 3.9881217835574154, 6.284698128701786 ], [ 3.7650681085413846, 0.6953650429449237, 2.0654426577452787 ], [ 6.070129423027606, -0.6630495555147473, 2.1451928129519136 ], [ 4.362407090618167, 1.828649426948707, 4.419121404520273 ], [ 2.156412071600345, 1.2273555579724214, 0.2791465140372056 ], [ -0.1493916064570246, 2.5856857255369747, 0.19838986364545871 ], [ 3.0139298761402102, 2.854916719192926, 6.2051863699657925 ], [ -2.442805780736403, 4.6905886229619504, 3.2417484709958573 ], [ -7.003635611467246, 5.3302240156981915, -0.8984553913694215 ] ]

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

[ "C", "C", "C", "C", "N", "N", "N", "N", "N", "N", "N", "N", "Pm", "Pm" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.5714285714285714, 0.14285714285714285 ]

[ [ 0.43192494, 0.04166511, -0.05202207 ], [ 0.04166523, 0.47577032, -0.10785923 ], [ -0.05202203, -0.10785931, 0.46478257 ] ]

-117.0035

[ 0.017, -0.018, -0.017, 0.018, 0.096, 0.096, -0.09, -0.096, 0.09, -0.09, -0.096, 0.09, 0, 0 ]

[ [ 0.00171288, -0.00051313, 0.00235109 ], [ -0.00057558, 0.00029333, -0.0000605 ], [ -0.0001239, -0.00021704, 0.00057456 ], [ 0.00064174, -0.00109115, -0.00016791 ], [ 0.00390125, 0.00008413, 0.00225748 ], [ -0.00495259, 0.00043742, -0.00267422 ], [ -0.00549332, 0.00250981, -0.00377047 ], [ 0.00298361, -0.00335295, -0.00190653 ], [ -0.0037733, 0.0028214, 0.00304811 ], [ 0.00387388, -0.00138449, 0.00198269 ], [ -0.00273333, 0.0041884, 0.00260617 ], [ 0.00486648, -0.00340724, -0.00386356 ], [ 0.00123525, -0.00055095, 0.00028146 ], [ -0.00156309, 0.00018246, -0.00065838 ] ]

-0.000144

4.037392

pbe

true

5bd507cbe39201583db49acba114c4d2_15_Pm2C4N8

[ "Ca", "Dy", "Mg" ]

6

A4BC

CaDyMg4

Ca1 Dy1 Mg4

3

[ 1, 1, 1 ]

3

[ [ 6.11247122, 0, 0 ], [ 3.05623561, 5.29355536, 0 ], [ 3.05623561, 1.76451845, 4.99081185 ] ]

agm001179039

[ [ 3.05623561, 1.7645184525, 1.2477029625 ], [ 6.112474276235609, 3.5290351417393233, 0.6122082665607795 ], [ 6.112474276235609, 1.7535405349803648, 3.123136814209124 ], [ 7.650097707479255, 4.416782442603251, 3.123136814209124 ], [ 4.574850844991964, 4.416782442603251, 3.123136814209124 ], [ 0, 0, 0 ] ]

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

[ "Ca", "Mg", "Mg", "Mg", "Mg", "Dy" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ -0.02763683, 0, 0 ], [ 0, -0.02763683, 0 ], [ 0, 0, -0.02763683 ] ]

-13.430706

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

[ [ 0, 0, 0 ], [ 0, 0, -0.00292307 ], [ 0, -0.0027559, 0.00097436 ], [ 0.00238668, 0.00137795, 0.00097436 ], [ -0.00238668, 0.00137795, 0.00097436 ], [ 0, 0, 0 ] ]

0.000035

5.151588

pbe

true

4840266ec2bff2feb20308b331cb57a3_216_Ca1Dy1Mg4

[ "C", "Nb", "Ta" ]

8

A4B3C

C4NbTa3

Ta3 Nb1 C4

3

[ 1, 1, 1 ]

3

[ [ 3.169859, 0, 0 ], [ 0, 5.20180683, -1.77012287 ], [ 0, -0.03983758, 5.49459139 ] ]

agm006021286

[ [ 1.5849295, 0, 0 ], [ 0, 1.3086998685370623, 0.94425426158717 ], [ 1.5849295, 3.8819860322880557, 0.0590971647452669 ], [ 0, 3.8532693814629373, 2.78021425841283 ], [ 1.5849295, 1.279983217711944, 3.665371355254733 ], [ 0, -0.01991879, 2.747295695 ], [ 1.5849295, 2.5809846249999997, 1.8622342600000001 ], [ 0, 2.600903415, -0.885061435 ] ]

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

[ "Nb", "C", "C", "C", "C", "Ta", "Ta", "Ta" ]

2023-11-16 06:57:59

[ 0.5, 0.125, 0.375 ]

[ [ 0.36120152, 0, 0 ], [ 0, 0.02157233, 0.09441441 ], [ 0, 0.09441441, -0.04116039 ] ]

-87.001944

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

[ [ 0, 0, 0 ], [ 0, 0.00236286, 0.00170485 ], [ 0, -0.00282835, 0.00391998 ], [ 0, -0.00236286, -0.00170485 ], [ 0, 0.00282835, -0.00391998 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000005

1.846331

pbe

true

f7c96a81f15f3881acc9cfa61f3b83fb_65_Ta3Nb1C4

[ "Cl", "Cr", "Os" ]

4

A2BC

ClCr2Os

Cr2 Os1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 8.12989116, 0.00651115, 0.00383425 ], [ 7.65943074, 2.72548958, 0.00383425 ], [ 7.65943074, 1.32529887, 2.38157324 ] ]

agm004026106

[ [ 0.07673018082624, 0.0132764986161, 0.007818196283714999 ], [ 11.64764613917376, 2.0153733013839004, 1.186802673716285 ], [ 5.8621881600000005, 1.0143249, 0.5973104349999999 ], [ 17.58656448, 3.0429747, 1.7919313049999999 ] ]

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

[ "Cr", "Cr", "Os", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 6.2063746, -0.03179202, -0.01872152 ], [ -0.03179202, 6.3846126, -0.00323935 ], [ -0.01872152, -0.00323935, 6.388206 ] ]

-30.965058

[ 0.001, 0.001, 0, 0 ]

[ [ 0.00642371, 0.00111148, 0.00065452 ], [ -0.00642371, -0.00111148, -0.00065452 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.001338

4.131385

pbe

true

10e4cf7b7fd80229c8b27711fadb86bc_166_Cr2Os1Cl1

[ "Cl", "Pb", "Rh" ]

8

A6BC

Cl6PbRh

Rh1 Pb1 Cl6

3

[ 1, 1, 1 ]

3

[ [ 6.74876171, -1e-8, 0 ], [ -3.37438103, 5.84459913, 0 ], [ 0, 0, 17.76169259 ] ]

agm2000143932

[ [ -8.292285882074027e-8, 3.8963994361486636, 8.88084665023385 ], [ 3.374380578768576, 5.844599061554009, 8.88084665023385 ], [ -0.9372587106091345, 5.5551925206381, 10.261692496322814 ], [ 1.9051861801028678, 3.8786925773705563, 10.261692496322814 ], [ -0.9679276845184952, 2.2553130350993613, 10.261692496322814 ], [ 0.9679277519233955, 2.2553131491228835, 7.4999999160602595 ], [ -1.9051864798634521, 3.878692466124606, 7.4999999160602595 ], [ 0.9372583441962498, 5.555192576306519, 7.4999999160602595 ] ]

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

[ "Rh", "Pb", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.75, 0.125, 0.125 ]

[ [ 0.4612783, -1e-8, 0 ], [ -1e-8, 0.46127832, 0 ], [ 0, 0, -0.22998667 ] ]

-27.947221

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00226458, -0.00067604, -0.00064209 ], [ 0.00054683, 0.0022992, -0.00064209 ], [ 0.00171776, -0.00162317, -0.00064209 ], [ -0.00171776, -0.00162317, 0.00064209 ], [ -0.00054683, 0.0022992, 0.00064209 ], [ 0.00226458, -0.00067604, 0.00064209 ] ]

-0.002576

7.201765

pbe

true

d8587630d2097e8ed49e2c6909186558_149_Rh1Pb1Cl6

[ "Co", "Mo", "Si" ]

4

A2BC

CoMo2Si

Co1 Si1 Mo2

3

[ 1, 1, 1 ]

3

[ [ 8.64161232, -0.00601007, -0.00352972 ], [ 8.20419999, 2.71451693, -0.00352972 ], [ 8.20419999, 1.31908937, 2.37247084 ] ]

agm004008543

[ [ 18.787509225, 3.0206971725, 1.7740585500000001 ], [ 0.035430987897243, 0.0056966723836743, 0.0033456615382740002 ], [ 12.489575162102756, 2.0081014426163257, 1.179360038461726 ], [ 6.262503075, 1.0068990575, 0.59135285 ] ]

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

[ "Co", "Mo", "Mo", "Si" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.258379, -0.02692782, -0.01581474 ], [ -0.02692782, 4.42153, -0.00254273 ], [ -0.01581474, -0.00254273, 4.424366 ] ]

-33.628855

[ 0.518, -0.029, -0.029, 0 ]

[ [ 0, 0, 0 ], [ -0.0043678, -0.00070226, -0.00041244 ], [ 0.0043678, 0.00070226, 0.00041244 ], [ 0, 0, 0 ] ]

0.433814

4.698945

pbe

true

40aa5193ed5cef0c5325e08ee4f1c176_166_Co1Si1Mo2

[ "Dy", "Lu", "Pb" ]

4

A2BC

DyLuPb2

Dy1 Lu1 Pb2

3

[ 1, 1, 1 ]

3

[ [ 3.79712707, 0, 0 ], [ 1.89856354, 3.28840851, 0 ], [ 1.89856354, 1.09613617, 9.3200062 ] ]

agm001973244

[ [ 1.8985654550363014, 1.0961372770975317, 2.294015235260622 ], [ 5.695688694963698, 3.288407402902468, 7.0259909647393775 ], [ 0, 0, 0 ], [ 3.7971270749999997, 2.19227234, 4.6600031 ] ]

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

[ "Pb", "Pb", "Lu", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.9125264, 0, 0 ], [ 0, 2.9125264, 0 ], [ 0, 0, 3.144692 ] ]

-17.785635

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00211991 ], [ 0, 0, 0.00211991 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000003

1.302417

pbe

true

8b6b89a39821705ebb93f57f657ac6f7_166_Dy1Lu1Pb2

[ "Er", "O", "Te" ]

32

A5B2C

ErO5Te2

Er4 Te8 O20

3

[ 1, 1, 1 ]

3

[ [ 6.98362655, 0, 0 ], [ 0, 7.34947177, 0 ], [ 0, 0, 10.65875564 ] ]

agm006015632

[ [ 5.2377199125, 0, 10.060877683862397 ], [ 1.7459066375, 3.674735885, 5.927255776137603 ], [ 1.7459066375, 0, 0.5978779561376024 ], [ 5.2377199125, 3.674735885, 4.731499863862398 ], [ 0.10521420022205201, 2.8724189665784006, 9.066171377383572 ], [ 3.597027475222052, 0.8023169184215997, 6.921962082616429 ], [ 6.878412349777948, 6.5471548515784, 6.921962082616429 ], [ 3.386599074777948, 4.4770528034216, 9.066171377383572 ], [ 6.878412349777948, 4.4770528034216, 1.5925842626164275 ], [ 3.386599074777948, 6.5471548515784, 3.7367935573835727 ], [ 0.10521420022205201, 0.8023169184215997, 3.7367935573835727 ], [ 3.597027475222052, 2.8724189665784006, 1.5925842626164275 ], [ 1.7459066375, 0, 4.671946518237696 ], [ 5.2377199125, 3.674735885, 0.6574313017623052 ], [ 5.2377199125, 0, 5.986809121762306 ], [ 1.7459066375, 3.674735885, 10.001324338237694 ], [ 4.698402578058497, 2.3151548239314512, 3.0725386268480954 ], [ 1.2065893030584964, 1.3595810610685486, 2.2568391931519045 ], [ 2.2852239719415035, 5.989890708931451, 2.2568391931519045 ], [ 5.777037246941504, 5.034316946068548, 3.0725386268480954 ], [ 2.2852239719415035, 5.034316946068548, 7.586217013151905 ], [ 5.777037246941504, 5.989890708931451, 8.401916446848096 ], [ 4.698402578058497, 1.3595810610685486, 8.401916446848096 ], [ 1.2065893030584964, 2.3151548239314512, 7.586217013151905 ], [ 0.21581738570767703, 2.522489669614156, 4.631859258038324 ], [ 3.707630660707677, 1.1522462153858444, 0.697518561961676 ], [ 6.7678091642923235, 6.197225554614156, 0.697518561961676 ], [ 3.2759958892923233, 4.826982100385844, 4.631859258038324 ], [ 6.7678091642923235, 4.826982100385844, 6.026896381961676 ], [ 3.2759958892923233, 6.197225554614156, 9.961237078038325 ], [ 0.21581738570767703, 1.1522462153858444, 9.961237078038325 ], [ 3.707630660707677, 2.522489669614156, 6.026896381961676 ] ]

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

[ "Er", "Er", "Er", "Er", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.125, 0.625, 0.25 ]

[ [ 0.52954185, 0, 0 ], [ 0, 0.40637612, 0 ], [ 0, 0, 0.40341026 ] ]

-196.761965

[ 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, 0.00032571 ], [ 0, 0, -0.00032571 ], [ 0, 0, -0.00032571 ], [ 0, 0, 0.00032571 ], [ -0.00068743, 0.00219562, -0.0004823 ], [ -0.00068743, -0.00219562, 0.0004823 ], [ 0.00068743, 0.00219562, 0.0004823 ], [ 0.00068743, -0.00219562, -0.0004823 ], [ 0.00068743, -0.00219562, 0.0004823 ], [ 0.00068743, 0.00219562, -0.0004823 ], [ -0.00068743, -0.00219562, -0.0004823 ], [ -0.00068743, 0.00219562, 0.0004823 ], [ 0, 0, -0.00231899 ], [ 0, 0, 0.00231899 ], [ 0, 0, 0.00231899 ], [ 0, 0, -0.00231899 ], [ 0.00339494, -0.00363844, 0.00153652 ], [ 0.00339494, 0.00363844, -0.00153652 ], [ -0.00339494, -0.00363844, -0.00153652 ], [ -0.00339494, 0.00363844, 0.00153652 ], [ -0.00339494, 0.00363844, -0.00153652 ], [ -0.00339494, -0.00363844, 0.00153652 ], [ 0.00339494, 0.00363844, 0.00153652 ], [ 0.00339494, -0.00363844, -0.00153652 ], [ 0.00086009, -0.00284746, -0.00302148 ], [ 0.00086009, 0.00284746, 0.00302148 ], [ -0.00086009, -0.00284746, 0.00302148 ], [ -0.00086009, 0.00284746, -0.00302148 ], [ -0.00086009, 0.00284746, 0.00302148 ], [ -0.00086009, -0.00284746, -0.00302148 ], [ 0.00086009, 0.00284746, -0.00302148 ], [ 0.00086009, -0.00284746, 0.00302148 ] ]

0

5.710835

pbe

true

d35a3396f56a0a95c27328b665e92eec_60_Er4Te8O20

[ "Eu", "Ga", "Th" ]

6

A4BC

EuGa4Th

Eu1 Th1 Ga4

3

[ 1, 1, 1 ]

3

[ [ 5.64095297, 0, 0 ], [ 2.82047648, 4.88520857, 0 ], [ 2.82047648, 1.62840286, 4.60581881 ] ]

agm001175471

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

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

[ [ 3.030481, 0, 0 ], [ 0, 3.030481, 0 ], [ 0, 0, 3.030481 ] ]

-32.570118

[ 6.818, -0.005, -0.005, -0.005, -0.005, 0.119 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00151723 ], [ 0, 0.00143046, -0.00050574 ], [ -0.00123882, -0.00071523, -0.00050574 ], [ 0.00123882, -0.00071523, -0.00050574 ], [ 0, 0, 0 ] ]

7.265089

4.251461

pbe

true

38fd1e0451b9c46c877c7cab5494c798_216_Eu1Th1Ga4

[ "Eu", "Sb", "V" ]

4

A2BC

EuSb2V

Eu1 V1 Sb2

3

[ 1, 1, 1 ]

3

[ [ 3.46768442, 0, 0 ], [ 1.73384221, 3.0031028, 0 ], [ 1.73384221, 1.00103427, 10.32457875 ] ]

agm001966036

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

[ "Eu", "Sb", "Sb", "V" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.1440547, 0, 0 ], [ 0, 1.1440547, 0 ], [ 0, 0, 1.067706 ] ]

-27.563282

[ 7.26, -0.009, -0.009, 0.138 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00590818 ], [ 0, 0, 0.00590818 ], [ 0, 0, 0 ] ]

8.099568

2.318482

pbe

true

0a379a59b02580248d36d33e469f74ca_166_Eu1V1Sb2

[ "Fe", "In", "Te" ]

4

A2BC

FeInTe2

In1 Fe1 Te2

3

[ 1, 1, 1 ]

3

[ [ 7.35810138, 2.22717297, -0.19068622 ], [ 3.93939231, 6.60175344, 0.19068526 ], [ -4.95900336, -5.29705681, 2.54711236 ] ]

agm004172013

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

[ "Fe", "In", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.6288399, 0.21970841, -0.0217257 ], [ 0.21970841, 1.519402, 0.02780118 ], [ -0.0217257, 0.02780118, 1.3847 ] ]

-17.159683

[ 1.811, -0.031, 0.011, 0.011 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00783674, -0.00612437, 0 ], [ 0.00783674, 0.00612437, 0 ] ]

1.867346

3.60019

pbe

true

eb5031f8df918c934922dab0416ecdd2_71_In1Fe1Te2

[ "Ga", "Nb", "Pa" ]

4

A2BC

GaNbPa2

Pa2 Nb1 Ga1

3

[ 1, 1, 1 ]

3

[ [ 4.61183904, 0, 0 ], [ 0, 4.28566532, 0 ], [ 0, 0, 4.28566532 ] ]

agm001206300

[ [ 2.30591952, 2.14283266, 2.14283266 ], [ 0, 0, 2.14283266 ], [ 0, 2.14283266, 0 ], [ 2.30591952, 0, 0 ] ]

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

[ "Nb", "Pa", "Pa", "Ga" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.305498, 0, 0 ], [ 0, 1.4785585, 0 ], [ 0, 0, 1.4785585 ] ]

-32.584609

[ 0, 0, 0, 0 ]

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

0.000046

5.945756

pbe

true

7658825f169359c29bdc7c54ffe0ba65_123_Pa2Nb1Ga1

[ "Ga", "Nd", "Sm" ]

8

A2BC

GaNdSm2

Nd2 Sm4 Ga2

3

[ 1, 1, 1 ]

3

[ [ 4.28107701, 0.00062089, 0 ], [ -2.14014801, 6.08547719, 0 ], [ 0, 0, 9.29646624 ] ]

agm003619255

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

[ "Nd", "Nd", "Sm", "Sm", "Sm", "Sm", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.9363394, -0.02185534, 0 ], [ -0.02185534, 0.99413884, 0 ], [ 0, 0, 0.87554675 ] ]

-36.375091

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

[ [ -0.00071767, 0.00503293, 0 ], [ 0.00071767, -0.00503293, 0 ], [ -0.00036866, -0.00101255, -0.00370457 ], [ 0.00036866, 0.00101255, 0.00370457 ], [ -0.00036866, -0.00101255, 0.00370457 ], [ 0.00036866, 0.00101255, -0.00370457 ], [ -0.00089196, 0.00290859, 0 ], [ 0.00089196, -0.00290859, 0 ] ]

0.001018

12.613327

pbe

true

f6e1d1b6f3431ddb2eaea079f5a90665_63_Nd2Sm4Ga2

[ "Ge", "Mo", "Rh" ]

4

A2BC

Ge2MoRh

Ge2 Mo1 Rh1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.09310486, 3.09310486 ], [ 3.09310486, 0, 3.09310486 ], [ 3.09310486, 3.09310486, 0 ] ]

agm002678484

[ [ 0, 0, 0 ], [ 3.09310486, 3.09310486, 3.09310486 ], [ 1.54655243, 1.54655243, 1.54655243 ], [ 4.63965729, 4.63965729, 4.63965729 ] ]

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

[ "Mo", "Rh", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.9320784, 0, 0 ], [ 0, 5.9320784, 0 ], [ 0, 0, 5.9320784 ] ]

-28.057002

[ 0, 0, 0, 0 ]

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

-0

2.698696

pbe

true

07c63f6f9aeaf11ebaa593fd3ea04d84_225_Ge2Mo1Rh1

[ "Hf", "Rh", "Sb" ]

16

A5B2C

Hf2Rh5Sb

Hf4 Sb2 Rh10

3

[ 1, 1, 1 ]

3

[ [ 4.14756289, 0, 0 ], [ 0, 5.65165895, 0 ], [ 0, 0, 11.0367437 ] ]

agm005976752

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

[ "Hf", "Hf", "Hf", "Hf", "Sb", "Sb", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.25, 0.625, 0.125 ]

[ [ 9.472905, 0, 0 ], [ 0, 9.177109, 0 ], [ 0, 0, 9.212258 ] ]

-135.814266

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

[ [ 0, -0.00119994, 0.0040007 ], [ 0, 0.00119994, -0.0040007 ], [ 0, 0.00119994, 0.0040007 ], [ 0, -0.00119994, -0.0040007 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00318012, -0.00054494 ], [ 0, -0.00318012, 0.00054494 ], [ 0, 0.00318012, 0.00054494 ], [ 0, -0.00318012, -0.00054494 ], [ 0, -0.00606149, 0.00017987 ], [ 0, 0.00606149, -0.00017987 ], [ 0, -0.00606149, -0.00017987 ], [ 0, 0.00606149, 0.00017987 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.655651

pbe

true

dc51d8af1a589405b5e301099d389535_55_Hf4Sb2Rh10