LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Bi", "Cr", "Cs", "F" ]

20

A6B2CD

BiCrCs2F6

Cs4 Cr2 Bi2 F12

4

[ 1, 1, 1 ]

3

[ [ 6.36829581, 0, 0 ], [ 0, 6.37212338, 0 ], [ 0, 0, 10.44034986 ] ]

agm004938394

[ [ 3.184147905, 4.778197888877448, 2.611443457639817 ], [ 0, 1.5939254911225518, 7.831618387639817 ], [ 3.184147905, 4.778197888877448, 7.828906402360182 ], [ 0, 1.5939254911225518, 2.608731472360183 ], [ 0, 4.772372621125919, 5.22017493 ], [ 3.184147905, 1.5997507588740805, 0 ], [ 3.184147905, 1.5863951068757691, 5.22017493 ], [ 0, 4.7857282731242305, 0 ], [ 3.184147905, 1.5995829171442513, 1.9971449650692599 ], [ 3.184147905, 1.5995829171442513, 8.443204894930739 ], [ 0, 4.772540462855749, 3.22302996493074 ], [ 0, 4.772540462855749, 7.217319895069259 ], [ 1.5602105665124137, 6.329907616558863, 5.22017493 ], [ 4.808085243487587, 6.329907616558863, 5.22017493 ], [ 1.5587291098581333, 3.2133281333854877, 5.22017493 ], [ 4.809566700141867, 3.2133281333854877, 5.22017493 ], [ 4.742877014858133, 3.158795246614512, 0 ], [ 1.6254187951418666, 3.158795246614512, 0 ], [ 1.6239373384875866, 0.0422157634411366, 0 ], [ 4.744358471512414, 0.0422157634411366, 0 ] ]

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

[ "Cs", "Cs", "Cs", "Cs", "Cr", "Cr", "Bi", "Bi", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.2, 0.6 ]

[ [ 1.3656875, 0, 0 ], [ 0, 1.2128246, 0 ], [ 0, 0, 1.2981822 ] ]

-97.435462

[ 0.008, 0.008, 0.008, 0.008, 3.784, 3.784, 0.636, 0.636, 0.021, 0.021, 0.021, 0.021, 0.021, 0.021, 0.021, 0.021, 0.021, 0.021, 0.021, 0.021 ]

[ [ 0, -0.00022005, 0.00020373 ], [ 0, 0.00022005, 0.00020373 ], [ 0, -0.00022005, -0.00020373 ], [ 0, 0.00022005, -0.00020373 ], [ 0, 0.00514885, 0 ], [ 0, -0.00514885, 0 ], [ 0, 0.00100393, 0 ], [ 0, -0.00100393, 0 ], [ 0, -0.00163674, 0.00159851 ], [ 0, -0.00163674, -0.00159851 ], [ 0, 0.00163674, -0.00159851 ], [ 0, 0.00163674, 0.00159851 ], [ -0.00063885, 0.00337711, 0 ], [ 0.00063885, 0.00337711, 0 ], [ 0.00011901, -0.00314521, 0 ], [ -0.00011901, -0.00314521, 0 ], [ 0.00011901, 0.00314521, 0 ], [ -0.00011901, 0.00314521, 0 ], [ 0.00063885, -0.00337711, 0 ], [ -0.00063885, -0.00337711, 0 ] ]

10.000029

-0.108347

pbe

true

5d21662833589bb052961c509544768e_59_Cs4Cr2Bi2F12

[ "Ir", "Mg", "Sc" ]

14

A5BC

IrMgSc5

Mg2 Sc10 Ir2

3

[ 1, 1, 1 ]

3

[ [ 6.29755538, -0.90497998, 0.69808916 ], [ 1.13970846, 6.2593336, 0.69808916 ], [ 3.37268662, 2.42811835, 9.23970342 ] ]

agm003760556

[ [ 6.247143930718215, 0.9432476632314697, 3.008015015 ], [ 4.562806529281785, 6.83922430676853, 7.627866725 ], [ 5.629328831504406, 4.094680945332072, 2.4314461427603393 ], [ 4.270851585196177, 5.091658075013939, 5.363547298165083 ], [ 7.355431043437942, 5.253514510602592, 7.051297852760339 ], [ 2.7049587745108887, 5.863386940550418, 3.008015015 ], [ 6.312717838146593, 6.561670998287706, 9.892186151834917 ], [ 4.497232621853407, 1.2208009717122934, 0.7436955881650831 ], [ 8.10499168548911, 1.9190850294495811, 7.627866725 ], [ 3.454519416562059, 2.528957459397408, 3.5845838872396607 ], [ 6.539098874803822, 2.690813894986061, 5.272334441834917 ], [ 5.180621628495595, 3.687791024667928, 8.20443559723966 ], [ 0, 0, 0 ], [ 1.68634331, 1.214059175, 4.61985171 ] ]

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

[ "Mg", "Mg", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.14285714285714285, 0.7142857142857143 ]

[ [ 3.257697, 0.05427196, 0.0038994 ], [ 0.05427196, 3.221385, 0.00280732 ], [ 0.00389937, 0.0028073, 3.0444276 ] ]

-85.130814

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

[ [ 0.00549654, -0.00763476, 0 ], [ -0.00549654, 0.00763476, 0 ], [ -0.00143065, 0.00086292, -0.00250103 ], [ 0.00177291, 0.00199745, -0.00128435 ], [ 0.00036446, -0.00163051, -0.00250103 ], [ -0.00065436, 0.00090892, 0 ], [ -0.00245673, -0.00104761, 0.00128435 ], [ 0.00245673, 0.00104761, -0.00128435 ], [ 0.00065436, -0.00090892, 0 ], [ -0.00036446, 0.00163051, 0.00250103 ], [ -0.00177291, -0.00199745, 0.00128435 ], [ 0.00143065, -0.00086292, 0.00250103 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000038

18.120232

pbe

true

77fe9213a1aa8a4b270019573e542d7c_15_Mg2Sc10Ir2

[ "Mg", "S", "Y" ]

10

A5B4C

Mg4S5Y

Y1 Mg4 S5

3

[ 1, 1, 1 ]

3

[ [ 3.72770419, 0, -0.52534553 ], [ -0.07403678, 3.7269684, -0.52534553 ], [ 0.02092779, 0.02134774, 13.63654258 ] ]

agm006088155

[ [ 0, 0, 0 ], [ 1.4607934735537365, 1.4901004291670192, 10.365394048763275 ], [ 2.9291810717508135, 2.987947249722222, 7.296615531975945 ], [ 0.7454141282491866, 0.760368890277778, 5.289235988024055 ], [ 2.213801726446263, 2.258215710832981, 2.220457471236726 ], [ 0.3855822951632632, 0.39331798361899845, 2.735983764439688 ], [ 1.8268337049999999, 1.8634842, -0.52534553 ], [ 3.2890129048367363, 3.3549981563810016, 9.849867755560313 ], [ 1.1033207463693118, 1.1254559576269967, 7.828854267673879 ], [ 2.571274453630689, 2.6228601823730036, 4.756997252326121 ] ]

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

[ "Y", "Mg", "Mg", "Mg", "Mg", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.4, 0.5, 0.1 ]

[ [ 0.37358293, 0.00599421, 0.04169658 ], [ 0.00599421, 0.373821, 0.04253311 ], [ 0.04169658, 0.04253311, 0.6635739 ] ]

-48.326779

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

[ [ 0, 0, 0 ], [ 0.00194595, 0.00198499, 0.01380792 ], [ -0.00062601, -0.00063857, -0.004442 ], [ 0.00062601, 0.00063857, 0.004442 ], [ -0.00194595, -0.00198499, -0.01380792 ], [ 0.00022176, 0.00022621, 0.00157352 ], [ 0, 0, 0 ], [ -0.00022176, -0.00022621, -0.00157352 ], [ -0.00005718, -0.00005833, -0.00040573 ], [ 0.00005718, 0.00005833, 0.00040573 ] ]

-0.000002

1.836741

pbe

true

eed33f0ad70b5a6a03c47618d9040d62_139_Y1Mg4S5

[ "Ce", "K", "O", "Sb" ]

9

A6BCD

CeKO6Sb

K1 Ce1 Sb1 O6

4

[ 1, 1, 1 ]

3

[ [ 4.81614683, 0, 0 ], [ 0, 5.86410093, 0 ], [ 0, -2.93205046, 5.07846037 ] ]

agm005100963

[ [ 2.408073415, 2.932050495987171, 1.692820106405132 ], [ 0, -2.5987171470611944e-8, 3.385640263594868 ], [ 2.408073415, 0, 0 ], [ 3.543479404073412, 1.8202260804552628, 3.845219140484881 ], [ 3.543479404073412, -1.308120001894379, 4.7322127702191334 ], [ 3.543479404073412, -0.51210598059937, 1.5794887785113827 ], [ 1.272667425926588, 0.5121060423505516, 1.5794887785113827 ], [ 1.272667425926588, 1.308120069853592, 4.7322127702191334 ], [ 1.272667425926588, -1.8202260142426299, 3.845219140484881 ] ]

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

[ "K", "Ce", "Sb", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]

[ [ 0.9873376, 0, 0 ], [ 0, 1.036096, 0 ], [ 0, 0, 1.036096 ] ]

-55.977872

[ 0, -0.107, -0.03, 0.299, 0.299, 0.299, 0.299, 0.299, 0.299 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0019024, -0.00453437, -0.00226399 ], [ 0.0019024, 0.00422786, -0.00279488 ], [ 0.0019024, 0.00030651, 0.00505887 ], [ -0.0019024, -0.00030651, 0.00505887 ], [ -0.0019024, -0.00422786, -0.00279488 ], [ -0.0019024, 0.00453437, -0.00226399 ] ]

2.000556

2.923511

pbe

true

548fdd1aca2758ec8dfeb46652a1ef03_149_K1Ce1Sb1O6

[ "Tb", "Ti" ]

10

AB

TbTi

Tb1 Ti1

2

[ 1, 1, 1 ]

3

[ [ 2.653711, 4.595815, 0 ], [ -6.672853, 6.915826, 0 ], [ 0, 0, 4.950225 ] ]

oqmd-2480936

[ [ 0.1834199999999989, 3.379100000000002, 0 ], [ -0.6382099999999985, 6.916839999999995, 0 ], [ -3.784660000000001, 8.222789999999996, 0 ], [ -0.9124100000000024, 1.2109900000000022, 2.4751100000000013 ], [ -1.967929999999999, 4.884809999999998, 2.4751100000000013 ], [ -3.861630000000001, 5.2819699999999985, 0 ], [ -6.293989999999997, 6.686509999999997, 0 ], [ -2.062970000000002, 8.379329999999998, 2.4751100000000013 ], [ -4.689889999999999, 6.655069999999996, 2.4751100000000013 ], [ -4.5098899999999995, 9.792049999999996, 2.4751100000000013 ] ]

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

[ "Tb", "Tb", "Tb", "Tb", "Tb", "Ti", "Ti", "Ti", "Ti", "Ti" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 6.14286, -0.20371, 0 ], [ -0.20371, 6.07481, 0 ], [ 0, 0, 6.06847 ] ]

-60.4418

[ 0, 0, 0.001, 0, 0, -0.013, -0.012, 0.019, 0.006, 0.017 ]

[ [ 0.030774, -0.002678, 0 ], [ -0.015401, 0.02248, 0 ], [ 0.020341, 0.039322, 0 ], [ 0.01643, -0.020352, 0 ], [ -0.026776, 0.000316, 0 ], [ -0.022685, 0.007044, 0 ], [ 0.017657, -0.017678, 0 ], [ -0.033688, -0.0033, 0 ], [ 0.001215, 0.005081, 0 ], [ 0.012132, -0.030234, 0 ] ]

0.021653

null

pbe

false

fc97c338a90383f41b2b5c52215ddccf_38_Tb5Ti5

[ "Cu", "Mg", "Si" ]

10

A2B2C

CuMg2Si2

Mg4 Si4 Cu2

3

[ 1, 1, 1 ]

3

[ [ 6.2613318, 0, 0 ], [ 0, 6.2613318, 0 ], [ 0, 0, 4.272947 ] ]

agm002993921

[ [ 2.27478410692965, 5.40545000692965, 0 ], [ 5.40545000692965, 3.98654769307035, 0 ], [ 3.98654769307035, 0.85588179307035, 0 ], [ 0.85588179307035, 2.27478410692965, 0 ], [ 1.092339924070944, 4.223005824070944, 2.1364735 ], [ 4.223005824070944, 5.1689918759290565, 2.1364735 ], [ 5.1689918759290565, 2.0383259759290557, 2.1364735 ], [ 2.0383259759290557, 1.092339924070944, 2.1364735 ], [ 0, 0, 0 ], [ 3.1306659, 3.1306659, 0 ] ]

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

[ "Si", "Si", "Si", "Si", "Mg", "Mg", "Mg", "Mg", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ -0.8650519, 0, 0 ], [ 0, -0.8650519, 0 ], [ 0, 0, -2.3227737 ] ]

-36.775712

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

[ [ 0.00953019, 0.00953019, 0 ], [ 0.00953019, -0.00953019, 0 ], [ -0.00953019, -0.00953019, 0 ], [ -0.00953019, 0.00953019, 0 ], [ -0.0103988, -0.0103988, 0 ], [ -0.0103988, 0.0103988, 0 ], [ 0.0103988, 0.0103988, 0 ], [ 0.0103988, -0.0103988, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

4.944969

pbe

true

462996beddf3e50e26ab57a1f3335165_127_Mg4Si4Cu2

[ "Fe", "Li", "Sn", "Y" ]

4

ABCD

FeLiSnY

Fe1 Li1 Sn1 Y1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.394652, 3.394652 ], [ 3.394652, 0, 3.394652 ], [ 3.394652, 3.394652, 0 ] ]

oqmd-2831936

[ [ 5.091980000000002, 5.091980000000002, 5.091980000000002 ], [ 3.3946499999999977, 3.3946499999999977, 3.3946499999999977 ], [ 0, 0, 0 ], [ 1.6973299999999978, 1.6973299999999978, 1.6973299999999978 ] ]

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

[ "Fe", "Li", "Sn", "Y" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 7.34093, 0, 0 ], [ 0, 7.34093, 0 ], [ 0, 0, 7.34093 ] ]

-21.0416

[ 0, 0, 0, 0 ]

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

2.14495

null

pbe

true

18e73d10b858d984f9798e34682157df_216_Li1Y1Fe1Sn1

[ "Mn", "Os", "Tm", "U" ]

4

ABCD

MnOsTmU

Tm1 U1 Mn1 Os1

4

[ 1, 1, 1 ]

3

[ [ 4.77622321, 0, 0 ], [ 2.3881116, 4.13633063, 0 ], [ 2.3881116, 1.37877688, 3.89976992 ] ]

agm001403253

[ [ 4.776223205, 2.757553755, 1.94988496 ], [ 7.1643348074999995, 4.1363306325, 2.9248274399999996 ], [ 2.3881116025, 1.3787768775, 0.97494248 ], [ 0, 0, 0 ] ]

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

[ "Os", "Tm", "U", "Mn" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.0239527, 0, 0 ], [ 0, 3.0239527, 0 ], [ 0, 0, 3.0239527 ] ]

-35.953435

[ -0.268, 0.218, 2.128, -2.645 ]

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

-0.449148

9.463952

pbe

true

dbedad5b899dbd1c0558fc0afc6b5cbe_216_Tm1U1Mn1Os1

[ "N", "Nb", "Pd", "Ti" ]

5

A2BCD

NNb2PdTi

Ti1 Nb2 Pd1 N1

4

[ 1, 1, 1 ]

3

[ [ 4.26822831, 0, 0 ], [ 0, 4.26822831, 0 ], [ 0, 0, 4.08176227 ] ]

agm001617179

[ [ 0, 2.134114155, 0 ], [ 2.134114155, 0, 0 ], [ 0, 0, 0 ], [ 2.134114155, 2.134114155, 2.040881135 ], [ 0, 0, 2.040881135 ] ]

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

[ "Nb", "Nb", "N", "Pd", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.06798617, 0, 0 ], [ 0, 0.06798617, 0 ], [ 0, 0, 0.3777998 ] ]

-45.017804

[ 0, 0, 0, 0, 0 ]

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

0.000001

4.663618

pbe

true

358eee5f18ce2ebd4e93442bf5d35cbe_123_Ti1Nb2Pd1N1

[ "Mn", "Nb", "S" ]

20

A6B3C

MnNb3S6

Mn2 Nb6 S12

3

[ 1, 1, 1 ]

3

[ [ 7.11141743, 0.19230521, 0.19661911 ], [ 0.03794411, 7.1139159, 0.19661911 ], [ 0.03794412, 0.03877662, 7.11652688 ] ]

agm003568876

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

[ "Mn", "Mn", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.1, 0.3, 0.6 ]

[ [ 0.94839185, -0.11534184, -0.11792921 ], [ -0.11534179, 0.9433849, -0.12051666 ], [ -0.11792926, -0.12051662, 0.9380372 ] ]

-142.657103

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6.544037

10.212478

pbe

true

5c768bcd2d32c34be3dfdf1ee85296c3_148_Mn2Nb6S12

[ "Cu", "Ge", "Ir", "Tb" ]

10

A4B3C2D

CuGe4Ir3Tb2

Tb2 Cu1 Ge4 Ir3

4

[ 1, 1, 1 ]

3

[ [ 4.23002773, 0, 0 ], [ 0, 4.23002773, 0 ], [ 0, 0, 10.14256938 ] ]

agm004509366

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

[ "Tb", "Tb", "Cu", "Ge", "Ge", "Ge", "Ge", "Ir", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.1, 0.4, 0.3, 0.2 ]

[ [ -0.12640531, 0, 0 ], [ 0, -0.12640531, 0 ], [ 0, 0, -0.2322636 ] ]

-65.050238

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

[ [ 0, 0, -0.00220709 ], [ 0, 0, 0.00220709 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00253465 ], [ 0, 0, 0.00253465 ], [ 0, 0, 0 ], [ 0, 0, -0.00197173 ], [ 0, 0, 0.00197173 ] ]

-0.000006

5.098126

pbe

true

c93ceb52b47863cd68e8832dbbcf214f_115_Tb2Cu1Ge4Ir3

[ "Co", "Hf", "Mg" ]

4

A2BC

CoHfMg2

Hf1 Mg2 Co1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.2646374, 3.2646374 ], [ 3.2646374, 0, 3.2646374 ], [ 3.2646374, 3.2646374, 0 ] ]

agm002699679

[ [ 0, 0, 0 ], [ 1.6323187, 1.6323187, 1.6323187 ], [ 4.8969561, 4.8969561, 4.8969561 ], [ 3.2646374, 3.2646374, 3.2646374 ] ]

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

[ "Co", "Mg", "Mg", "Hf" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.1166931, 0, 0 ], [ 0, 1.1166931, 0 ], [ 0, 0, 1.1166931 ] ]

-18.820961

[ -0.002, 0, 0, 0 ]

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

-0.001498

3.122186

pbe

true

e6023a795694555666093566bd0108ad_225_Hf1Mg2Co1

[ "Re", "Se", "Tc" ]

4

A2BC

Re2SeTc

Re2 Tc1 Se1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.11708142, 3.11708142 ], [ 3.11708142, 0, 3.11708142 ], [ 3.11708142, 3.11708142, 0 ] ]

agm002736851

[ [ 1.55854071, 1.55854071, 1.55854071 ], [ 4.67562213, 4.67562213, 4.67562213 ], [ 3.11708142, 3.11708142, 3.11708142 ], [ 0, 0, 0 ] ]

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

[ "Re", "Re", "Tc", "Se" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 12.572176, 0, 0 ], [ 0, 12.572176, 0 ], [ 0, 0, 12.572176 ] ]

-36.251639

[ 0, 0, 0, 0 ]

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

-0.000001

3.035095

pbe

true

527d9023836851f982eed3cf3a3374b0_225_Re2Tc1Se1

[ "Al", "Ga", "Ho" ]

6

A4BC

Al4GaHo

Ho1 Al4 Ga1

3

[ 1, 1, 1 ]

3

[ [ 5.47908479, 0, 0 ], [ 2.7395424, 4.74502662, 0 ], [ 2.7395424, 1.58167554, 4.473654 ] ]

agm001170114

[ [ 2.7395423974999997, 1.58167554, 1.1184135 ], [ 0, 0, 0 ], [ 5.47908756069105, 3.1633495141412156, 0.5635450759664999 ], [ 5.47908756069105, 1.5857652309935117, 2.79458616503868 ], [ 6.845315628318858, 3.9521416557150673, 2.79458616503868 ], [ 4.112859498050309, 3.9521416557150673, 2.79458616503868 ] ]

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

[ "Ho", "Ga", "Al", "Al", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 0.6424282, 0, 0 ], [ 0, 0.6424282, 0 ], [ 0, 0, 0.6424282 ] ]

-23.664998

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00103989 ], [ 0, 0.00098042, -0.00034663 ], [ -0.00084907, -0.00049021, -0.00034663 ], [ 0.00084907, -0.00049021, -0.00034663 ] ]

-0.000007

3.410121

pbe

true

a990af7154651621602397ba2bc8de3e_216_Ho1Al4Ga1

[ "Al", "H", "Ni" ]

10

A3BC

AlHNi3

Al2 Ni6 H2

3

[ 1, 1, 1 ]

3

[ [ 3.77312238, -0.00000298, -0.0002017 ], [ 0.00002652, 5.01052032, 0.00114242 ], [ -0.00022336, -0.00115406, 5.01304224 ] ]

agm003069207

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

[ "H", "H", "Al", "Al", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -12.013876, 0.02590911, 0.07780228 ], [ 0.02590881, -8.18473, 0.06471294 ], [ 0.07780246, 0.06471339, -7.831928 ] ]

-52.322269

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

[ [ 0.00337412, -0.00138688, 0.00004729 ], [ 0.00484649, -0.00065459, 0.00230439 ], [ 0.00378326, -0.00073179, 0.0063168 ], [ 0.00339214, -0.00113919, 0.0060869 ], [ -0.00373204, 0.01478863, -0.00532467 ], [ -0.00417964, -0.00572407, -0.00308091 ], [ -0.00073951, -0.0066444, 0.00002569 ], [ -0.0044208, -0.00660378, 0.00102504 ], [ -0.00338312, 0.01479417, -0.00467021 ], [ 0.0010591, -0.00669811, -0.00273031 ] ]

0

2.108085

pbe

true

0f77369da9a87f6ed336b56d6fd05a0b_47_Al2Ni6H2

[ "Ge", "Ir", "Ni", "Tb" ]

10

A4B3C2D

Ge4IrNi3Tb2

Tb2 Ni3 Ge4 Ir1

4

[ 1, 1, 1 ]

3

[ [ 4.08305855, 0, 0 ], [ 0, 4.08305855, 0 ], [ 0, 0, 9.92545572 ] ]

agm004510169

[ [ 2.041529275, 0, 2.416705938275861 ], [ 0, 2.041529275, 7.50874978172414 ], [ 0, 0, 4.96272786 ], [ 2.041529275, 0, 8.690754933871428 ], [ 0, 2.041529275, 1.2347007861285708 ], [ 2.041529275, 2.041529275, 0 ], [ 0, 0, 0 ], [ 2.041529275, 0, 6.361246109186913 ], [ 0, 2.041529275, 3.5642096108130876 ], [ 2.041529275, 2.041529275, 4.96272786 ] ]

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

[ "Tb", "Tb", "Ni", "Ni", "Ni", "Ge", "Ge", "Ge", "Ge", "Ir" ]

2023-11-16 06:57:59

[ 0.4, 0.1, 0.3, 0.2 ]

[ [ -2.7309585, 0, 0 ], [ 0, -2.7309585, 0 ], [ 0, 0, -2.8899672 ] ]

-61.122075

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

[ [ 0, 0, 0.0046597 ], [ 0, 0, -0.0046597 ], [ 0, 0, 0 ], [ 0, 0, 0.00881122 ], [ 0, 0, -0.00881122 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00572745 ], [ 0, 0, -0.00572745 ], [ 0, 0, 0 ] ]

0.000093

5.129278

pbe

true

f430e5d3a5c0a78386f03b9b91db6e5c_115_Tb2Ni3Ge4Ir1

[ "Ge", "Mg", "Na", "S" ]

11

A6B2C2D

Ge2MgNa2S6

Na2 Mg1 Ge2 S6

4

[ 1, 1, 1 ]

3

[ [ 6.69930054, -8.3e-7, 0 ], [ -3.34964955, 5.80176487, 0 ], [ 0, 0, 7.32646822 ] ]

agm004579031

[ [ 3.3496505434965007, 1.9339210506607811, 4.645162328097809 ], [ 4.465034995508117e-7, 3.8678429893392194, 2.6813058919021904 ], [ 0, 0, 0 ], [ 4.465034995508117e-7, 3.8678429893392194, 6.01102283050366 ], [ 3.3496505434965007, 1.9339210506607811, 1.31544538949634 ], [ -0.7830191371172067, 1.8933326506152186, 5.690667585997677 ], [ 2.1014863851070684, 4.176983249987195, 5.690667585997677 ], [ -1.318465807989861, 5.533213009397587, 5.690667585997677 ], [ 4.132670127117207, 3.9084313893847824, 1.6358006340023228 ], [ 1.2481646048929327, 1.6247807900128044, 1.6358006340023228 ], [ 4.668116797989861, 0.2685510306024139, 1.6358006340023228 ] ]

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

[ "Na", "Na", "Mg", "Ge", "Ge", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.09090909090909091, 0.18181818181818182, 0.5454545454545454 ]

[ [ 0.7487396, -2.4e-7, 0 ], [ 2.4e-7, 0.7487396, 0 ], [ 0, 0, 0.9285934 ] ]

-45.323237

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

[ [ 0, 0, 0.00378151 ], [ 0, 0, -0.00378151 ], [ 0, 0, 0 ], [ 0, 0, 0.01299332 ], [ 0, 0, -0.01299332 ], [ 0.00329139, -0.00253563, -0.0004692 ], [ 0.00055022, 0.00411824, -0.0004692 ], [ -0.00384161, -0.00158262, -0.0004692 ], [ -0.00329139, 0.00253563, 0.0004692 ], [ -0.00055022, -0.00411824, 0.0004692 ], [ 0.00384161, 0.00158262, 0.0004692 ] ]

-0

0

pbe

true

b984f6a22c5744b7563c7eba0b4d4143_147_Na2Mg1Ge2S6

[ "Ag", "As", "Pd", "S" ]

8

A4B2CD

Ag2AsPdS4

Ag2 As1 Pd1 S4

4

[ 1, 1, 1 ]

3

[ [ 5.62718763, 0.0010146, -0.00368212 ], [ -0.00034183, 5.62602318, -0.0034284 ], [ -2.81110662, -2.81154571, 5.68132422 ] ]

agm004786711

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

[ "Ag", "Ag", "As", "Pd", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.25, 0.125, 0.125, 0.5 ]

[ [ 2.5583704, -0.00600431, 0.04451648 ], [ -0.00600444, 2.5555747, 0.04712122 ], [ 0.04451653, 0.0471213, 2.7244284 ] ]

-32.303326

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

[ [ 0.00007559, -0.00023101, -0.00128306 ], [ 0.00019941, -0.00033514, -0.00089778 ], [ -0.00024114, -0.00050335, 0.0008546 ], [ -0.00038265, 0.00029395, -0.00128875 ], [ 0.00484932, 0.00301889, -0.00363944 ], [ -0.00294569, 0.002912, 0.00363281 ], [ 0.00205164, -0.00305362, 0.00464993 ], [ -0.00360648, -0.00210171, -0.0020283 ] ]

0.000197

6.689568

pbe

true

fa805e45d78ee1233545dfdfcd26ef94_82_Ag2As1Pd1S4

[ "In", "Nb", "Se" ]

12

A4BC

InNbSe4

Nb2 In2 Se8

3

[ 1, 1, 1 ]

3

[ [ 3.64961036, 0, 0 ], [ 0, 13.76339389, 0 ], [ 0, 0, 18.66728704 ] ]

agm2000140219

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

[ "Nb", "Nb", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "In", "In" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ 0.59005725, 0, 0 ], [ 0, 0.59175766, -0.02749049 ], [ 0, -0.02749052, -0.04737355 ] ]

-60.007469

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

[ [ 0, -0.00158504, -0.00088831 ], [ 0, 0.00158504, 0.00088831 ], [ 0, 0.00275839, -0.00381814 ], [ 0, 0.00137016, 0.0013788 ], [ 0, -0.00275839, 0.00381814 ], [ 0, 0.00226034, -0.00101263 ], [ 0, 0.00110915, 0.00047972 ], [ 0, -0.00110915, -0.00047972 ], [ 0, -0.00226034, 0.00101263 ], [ 0, -0.00137016, -0.0013788 ], [ 0, 0.00164118, -0.00102442 ], [ 0, -0.00164118, 0.00102442 ] ]

0.000009

1.918745

pbe

true

58e989d16d5a0a94e37612ce791de74d_11_Nb2In2Se8

[ "Cr", "O" ]

17

A12B5

Cr5O12

Cr5 O12

2

[ 1, 1, 1 ]

3

[ [ 6.05538216, -0.01632796, 0 ], [ -2.11776339, 5.22587975, 0 ], [ 0, 0, 20.01828677 ] ]

agm2000045704

[ [ 1.1734561816960796, 0.0439907344790779, 11.515809729600663 ], [ -0.19255354616888673, 2.508579685138066, 11.780138194512116 ], [ 2.4589086181207143, 3.732672737691442, 11.670738057131198 ], [ 0.5788172421073124, 3.7469966029200537, 8.672378445885224 ], [ 4.404029715332496, 1.366249460552128, 9.468030676783071 ], [ 2.4172968394869963, 3.6787743548454968, 9.00210865550294 ], [ -0.6125933371370469, 5.052027784907913, 9.521589402853339 ], [ -0.04385701788057603, 2.4471895644489896, 9.8083921981386 ], [ 3.001707446414905, 2.849466292930154, 10.006397476603759 ], [ 5.201965436832458, 0.5370443679109012, 11.25308052561927 ], [ 2.666354485034685, 0.4127877375090721, 8.852059184823991 ], [ 0.658417782254727, 4.270644959037018, 11.965746948712084 ], [ 4.297320323127674, 3.552934961908687, 12.180242491086899 ], [ 1.5957953740503628, 1.8497411863562072, 12.07792882722256 ], [ 0.37621415364545563, 3.3174145288843087, 7.161955869955036 ], [ 4.37971601217752, 1.6478758162775462, 7.465854081959009 ], [ 5.195336692636578, 0.6456955317808603, 7.752987178975975 ] ]

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

[ "Cr", "Cr", "Cr", "Cr", "Cr", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.29411764705882354, 0.7058823529411765 ]

[ [ 0.46791813, 0.02673345, -0.05861899 ], [ 0.02673349, 0.4937084, 0.04160864 ], [ -0.05861886, 0.04160889, -0.99659246 ] ]

-114.374071

[ 3.008, 2.99, 3.072, 1.398, 3.102, -0.058, -0.081, -0.032, -0.056, -0.047, -0.051, -0.073, -0.059, -0.078, -0.18, 0.328, 0.322 ]

[ [ -0.00463126, -0.0025002, 0.000608 ], [ -0.0008259, 0.00422138, 0.00199116 ], [ -0.0000929, 0.00240388, 0.00329089 ], [ 0.00223913, 0.0011733, 0.00303511 ], [ 0.00273861, 0.0015429, 0.00042822 ], [ 0.00126377, 0.0022995, -0.00125226 ], [ 0.00242224, -0.00166693, 0.00097971 ], [ -0.00224979, 0.00232624, -0.00061491 ], [ 0.00037554, -0.00045244, -0.00009492 ], [ -0.00095335, -0.00083376, -0.00219125 ], [ -0.0018252, -0.00251267, -0.0016248 ], [ 0.00409432, 0.0006131, -0.00092715 ], [ -0.00423181, -0.00045286, -0.0016072 ], [ -0.00231754, -0.00087898, -0.00491999 ], [ 0.00059122, -0.00019732, -0.00066571 ], [ 0.0055485, -0.00624534, 0.00074677 ], [ -0.00214557, 0.00116019, 0.00281832 ] ]

14.000361

-0.286989

pbe

true

c1f3629e101c169beee3d840c4cf6095_1_Cr5O12

[ "Al", "Fe", "Ni", "Ti" ]

20

A5B2C2D

Al5FeNi2Ti2

Ti4 Al10 Fe2 Ni4

4

[ 1, 1, 1 ]

3

[ [ 2.89397703, 0, 0 ], [ 0, 9.888078, 0 ], [ 0, 0, 9.888078 ] ]

agm005130808

[ [ 0, 6.75119936292012, 1.80716036292012 ], [ 0, 3.1368786370798802, 8.08091763707988 ], [ 0, 1.80716036292012, 3.1368786370798802 ], [ 0, 8.08091763707988, 6.75119936292012 ], [ 1.446988515, 1.93190558630628, 0.42042357466193997 ], [ 1.446988515, 7.95617241369372, 9.46765442533806 ], [ 1.446988515, 0.42042357466193997, 7.95617241369372 ], [ 1.446988515, 6.8759445863062805, 4.52361542533806 ], [ 1.446988515, 9.46765442533806, 1.93190558630628 ], [ 1.446988515, 3.01213341369372, 5.36446257466194 ], [ 1.446988515, 5.36446257466194, 6.8759445863062805 ], [ 1.446988515, 4.52361542533806, 3.01213341369372 ], [ 1.446988515, 4.944039, 0 ], [ 1.446988515, 0, 4.944039 ], [ 0, 0, 0 ], [ 0, 4.944039, 4.944039 ], [ 0, 1.3451899520448, 6.2892289520448 ], [ 0, 8.5428880479552, 3.5988490479552 ], [ 0, 6.2892289520448, 8.5428880479552 ], [ 0, 3.5988490479552, 1.3451899520448 ] ]

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

[ "Ti", "Ti", "Ti", "Ti", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Fe", "Fe", "Ni", "Ni", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.5, 0.1, 0.2, 0.2 ]

[ [ -1.6232405, 0, 0 ], [ 0, -1.8407073, 0 ], [ 0, 0, -1.8407073 ] ]

-116.979819

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

[ [ 0, -0.00236455, -0.00236455 ], [ 0, 0.00236455, 0.00236455 ], [ 0, -0.00236455, 0.00236455 ], [ 0, 0.00236455, -0.00236455 ], [ 0, 0.00379448, 0.00364661 ], [ 0, -0.00379448, -0.00364661 ], [ 0, 0.00364661, -0.00379448 ], [ 0, 0.00379448, -0.00364661 ], [ 0, -0.00364661, 0.00379448 ], [ 0, -0.00379448, 0.00364661 ], [ 0, 0.00364661, 0.00379448 ], [ 0, -0.00364661, -0.00379448 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.01553144, 0.01553144 ], [ 0, -0.01553144, -0.01553144 ], [ 0, 0.01553144, -0.01553144 ], [ 0, -0.01553144, 0.01553144 ] ]

0.000506

13.889843

pbe

true

95c094f970406e7dfabcd8d883f76769_127_Ti4Al10Fe2Ni4

[ "Be", "Rh", "Ru" ]

4

A2BC

BeRh2Ru

Be1 Ru1 Rh2

3

[ 1, 1, 1 ]

3

[ [ 2.71581008, 0, 0 ], [ 0, 3.63571463, 0 ], [ 0, 0, 5.28069262 ] ]

agm004429704

[ [ 0, 0, 2.639283464996373 ], [ 0, 0, 5.1252951435388026 ], [ 1.35790504, 1.817857315, 1.3946946589019233 ], [ 1.35790504, 1.817857315, 4.042458335369828 ] ]

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

[ "Ru", "Rh", "Rh", "Be" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 8.009704, 0, 0 ], [ 0, 7.5255966, 0 ], [ 0, 0, 8.38176 ] ]

-27.820213

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00424185 ], [ 0, 0, 0.01349805 ], [ 0, 0, -0.00228801 ], [ 0, 0, -0.01545189 ] ]

-0.00003

4.796772

pbe

true

57a6085a8150edf38f6b676bb9eeba7d_25_Be1Ru1Rh2

[ "N", "Pm", "Se" ]

10

A3BC

NPm3Se

Pm6 Se2 N2

3

[ 1, 1, 1 ]

3

[ [ 3.7922984, 0, 0 ], [ 0, 7.08154539, 0 ], [ -1.8961492, 0, 9.64381564 ] ]

agm003724620

[ [ 1.8961491810385078, 2.56410302133559, 7.722820701936176 ], [ 1.8961491966546998e-8, 6.104875716335589, 1.9209949380638236 ], [ 1.8961492, 1.9550787873229658, 1.5668714239328008 ], [ -8.56920526975955e-17, 5.495851482322966, 8.076944216067199 ], [ 1.8961473038507999, 4.615836547008495, 5.011387002302654 ], [ 0.0000018961492000590696, 1.0750638520084956, 4.632428637697346 ], [ 1.8961473038508, 7.069853475299293, 6.56101644112901 ], [ 0.0000018961492000293566, 3.529080780299294, 3.0827991988709886 ], [ -5.7749925332473135e-18, 3.5816812247780443, 6.57521136624584 ], [ 1.8961492000000002, 0.0409085297780442, 3.06860427375416 ] ]

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

[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Se", "Se", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.09026507, 0, 0 ], [ 0, 0.0999785, 0 ], [ 0, 0, 0.08758038 ] ]

-63.421186

[ 0.035, 0.035, 0.009, 0.009, 0, 0, -0.002, -0.002, -0.002, -0.002 ]

[ [ 0, 0.00390249, 0.00094675 ], [ 0, 0.00390249, -0.00094675 ], [ 0, -0.00134673, 0.00108635 ], [ 0, -0.00134673, -0.00108635 ], [ 0, -0.00249529, -0.00088277 ], [ 0, -0.00249529, 0.00088277 ], [ 0, 0.00269595, -0.00075853 ], [ 0, 0.00269595, 0.00075853 ], [ 0, -0.00275641, 0.00168564 ], [ 0, -0.00275641, -0.00168564 ] ]

0.244021

4.967546

pbe

true

b8a1633aac68c6955313a90b37589ad7_36_Pm6Se2N2

[ "Ac", "Cd", "Pr" ]

11

A8B2C

AcCd2Pr8

Ac1 Pr8 Cd2

3

[ 1, 1, 1 ]

3

[ [ 5.90889505, 0.14910967, 0.12753687 ], [ 0.91254232, 8.35327904, -0.64494005 ], [ 0.91254232, 0.65775394, 8.35227982 ] ]

agm003515142

[ [ 0, 0, 0 ], [ 4.994635400927723, 1.4249275370828103, 5.147645239040093 ], [ 2.7393442890722772, 3.8538353541150983, 7.225144881212213 ], [ 5.695764109337787, 2.6295893209450076, 2.2491470670218847 ], [ 2.0382155806622126, 6.530553329054992, 5.5857295729781145 ], [ 4.994635400927723, 5.306307295884902, 0.6097317587877864 ], [ 2.7393442890722772, 7.7352151129171896, 2.6872314009599068 ], [ 2.4989180231298604, 3.7955567042345595, 3.2464252673456624 ], [ 5.23506166687014, 5.364585945765441, 4.588451372654338 ], [ 2.9767097073790287, 1.2972387372180758, 1.1095575564719016 ], [ 4.757269982620971, 7.862903912781924, 6.725319083528098 ] ]

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

[ "Ac", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.09090909090909091, 0.18181818181818182, 0.7272727272727273 ]

[ [ 0.94576335, 0.04577668, 0.03915383 ], [ 0.04577662, 1.1439269, -0.03447194 ], [ 0.03915378, -0.03447194, 1.1547451 ] ]

-41.33314

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

[ [ 0, 0, 0 ], [ -0.00036321, -0.00104571, -0.00165495 ], [ 0.00036321, 0.00179705, 0.00077653 ], [ -0.00382587, 0.00071227, 0.00060922 ], [ 0.00382587, -0.00071227, -0.00060922 ], [ -0.00036321, -0.00179705, -0.00077653 ], [ 0.00036321, 0.00104571, 0.00165495 ], [ -0.00469061, 0.00133898, 0.00114526 ], [ 0.00469061, -0.00133898, -0.00114526 ], [ -0.00059277, 0.00072205, 0.00061759 ], [ 0.00059277, -0.00072205, -0.00061759 ] ]

0.002448

19.388338

pbe

true

135ff921021aba74c90ee437e5c2bd34_12_Ac1Pr8Cd2

[ "Bi", "Cu", "P", "Sr" ]

8

A4B2CD

BiCu4P2Sr

Sr1 Cu4 Bi1 P2

4

[ 1, 1, 1 ]

3

[ [ 3.96248412, 0, 0 ], [ 0, 3.96248412, 0 ], [ 0, 0, 9.63599046 ] ]

agm004772805

[ [ 0, 0, 4.81799523 ], [ 0, 1.98124206, 2.060247222996259 ], [ 1.98124206, 0, 7.575743237003741 ], [ 1.98124206, 0, 2.060247222996259 ], [ 0, 1.98124206, 7.575743237003741 ], [ 0, 0, 0 ], [ 1.98124206, 1.98124206, 3.2018768779791307 ], [ 1.98124206, 1.98124206, 6.43411358202087 ] ]

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

[ "Sr", "Cu", "Cu", "Cu", "Cu", "Bi", "P", "P" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.25, 0.125 ]

[ [ -4.050785, 0, 0 ], [ 0, -4.050785, 0 ], [ 0, 0, -3.8055153 ] ]

-34.983126

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

[ [ 0, 0, 0 ], [ 0, 0, -0.03028671 ], [ 0, 0, 0.03028671 ], [ 0, 0, -0.03028671 ], [ 0, 0, 0.03028671 ], [ 0, 0, 0 ], [ 0, 0, 0.00399319 ], [ 0, 0, -0.00399319 ] ]

0

2.766623

pbe

true

e9e9b45784a0ed9985cba8784a856524_123_Sr1Cu4Bi1P2

[ "Os", "Rh", "Se" ]

4

A2BC

OsRhSe2

Os1 Rh1 Se2

3

[ 1, 1, 1 ]

3

[ [ 3.76440677, 0, 0 ], [ 0, 2.84852087, -0.00784986 ], [ 0, 1.31665608, 7.39965518 ] ]

agm004306776

[ [ 0, 1.5335769658532357, 4.098480055901437 ], [ 1.882203385, 2.9617096465323214, 5.392562164530796 ], [ 0, 1.5391489905344895, 6.571597468974465 ], [ 1.882203385, 1.5299859020799533, 2.424723470593301 ] ]

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

[ "Os", "Rh", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.248239, 0, 0 ], [ 0, 4.9397764, 0.00865085 ], [ 0, 0.00865092, 5.0480742 ] ]

-25.176508

[ 0, 0, 0, 0 ]

[ [ 0, 0.00021522, -0.00155933 ], [ 0, -0.00194518, 0.00804318 ], [ 0, 0.00278921, -0.0044893 ], [ 0, -0.00105925, -0.00199454 ] ]

0

2.673951

pbe

true

24212eec4aeab1432746c932852aeaa4_6_Os1Rh1Se2

[ "Ac", "Ag", "Mg", "Zn" ]

6

A2B2CD

AcAg2Mg2Zn

Ac1 Mg2 Zn1 Ag2

4

[ 1, 1, 1 ]

3

[ [ 5.22156416, 0, 0 ], [ 0, 5.22156416, 0 ], [ -2.61078208, -2.61078208, 5.83492279 ] ]

agm004758004

[ [ 2.61078208, 2.61078208, 0 ], [ 0, 2.61078208, 2.917461395 ], [ 2.61078208, 0, 2.917461395 ], [ 0, 0, 0 ], [ 2.61078208, 2.61078208, 3.3472432526569276 ], [ 8.482729366451167e-17, 8.482729366451167e-17, 2.4876795373430722 ] ]

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

[ "Ac", "Mg", "Mg", "Zn", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.3333333333333333, 0.3333333333333333, 0.16666666666666666 ]

[ [ 2.957688, 0, 0 ], [ 0, 2.957688, 0 ], [ 0, 0, 2.9626994 ] ]

-14.295337

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00412293 ], [ 0, 0, 0.00412293 ] ]

0.000338

5.316852

pbe

true

969e2a2ba29e78808188da6331e205d8_139_Ac1Mg2Zn1Ag2

[ "Al", "As", "N", "S" ]

5

A2BCD

AlAsN2S

Al1 As1 S1 N2

4

[ 1, 1, 1 ]

3

[ [ 3.70557843, 0, 0 ], [ 0, 3.70557843, 0 ], [ 0, 0, 5.05967319 ] ]

agm001728886

[ [ 1.852789215, 1.852789215, 2.529836595 ], [ 0, 1.852789215, 0 ], [ 1.852789215, 0, 0 ], [ 0, 0, 2.529836595 ], [ 0, 0, 0 ] ]

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

[ "As", "N", "N", "S", "Al" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.52216685, 0, 0 ], [ 0, 0.52216685, 0 ], [ 0, 0, 0.34728312 ] ]

-25.270632

[ -0.046, 0.11, 0.11, 0.03, -0.005 ]

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

0.26447

2.439905

pbe

true

b2bc9ef1e2ccb5a5cd106c2fd1e45b2d_123_Al1As1S1N2

[ "K", "N", "O", "Pm" ]

8

ABCD

KNOPm

K1 N1 O1 Pm1

4

[ 1, 1, 1 ]

3

[ [ 5.292219, 0, 0 ], [ 0, 5.292219, 0 ], [ 0, 0, 4.852206 ] ]

oqmd-3637648

[ [ 1.3230699999999975, 1.3230699999999975, 0 ], [ 3.9691699999999974, 3.9691699999999974, 0 ], [ 1.3230699999999975, 1.3230699999999975, 2.4251100000000005 ], [ 3.9691699999999974, 3.9691699999999974, 2.427090000000002 ], [ 3.9691699999999974, 1.3230699999999975, 0 ], [ 1.3230699999999975, 3.9691699999999974, 0 ], [ 3.9691699999999974, 1.3230699999999975, 2.4261000000000013 ], [ 1.3230699999999975, 3.9691699999999974, 2.4261000000000013 ] ]

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

[ "K", "K", "N", "N", "O", "O", "Pm", "Pm" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 30.01075, 0, 0 ], [ 0, 30.01075, 0 ], [ 0, 0, 23.43968 ] ]

-46.7595

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

[ [ 0, 0, -0.00656 ], [ 0, 0, 0.00656 ], [ 0, 0, 0.009021 ], [ 0, 0, -0.009021 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.00701

null

pbe

true

19b41dc9ce8f8f5784aade676ceeed83_123_K2Pm2N2O2

[ "F", "Ga", "Tm" ]

7

A4B2C

F4Ga2Tm

F4 Ga2 Tm1

3

[ 1, 1, 1 ]

3

[ [ 3.755609605, 0, 0 ], [ -1.877804803, 3.252453325, 0 ], [ 0, 0, 9.956631651 ] ]

oqmd-6324233

[ [ 1.8778, 1.08415, 0.67801 ], [ -9.960332809935528e-17, 2.1683, 4.46366 ], [ 1.8778, 1.08415, 5.49297 ], [ -9.960332809935528e-17, 2.1683, 9.278620000000002 ], [ -9.960332809935528e-17, 2.1683, 1.53278 ], [ 1.8778, 1.08415, 8.42385 ], [ 0, 0, 4.97832 ] ]

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

[ "F", "F", "F", "F", "Ga", "Ga", "Tm" ]

2024-11-01 00:00:00

[ 0.5714285714285714, 0.2857142857142857, 0.14285714285714285 ]

[ [ 57.75840737, 0, 0 ], [ 0, 57.75840737, 0 ], [ 0, 0, 30.98772829 ] ]

-33.7449

[ 0.015, 0.004, 0.004, 0.015, 0.043, 0.043, 0.379 ]

[ [ 0, 0, 0.048588 ], [ 0, 0, 0.040848 ], [ 0, 0, -0.040848 ], [ 0, 0, -0.048588 ], [ 0, 0, -0.073859 ], [ 0, 0, 0.073859 ], [ 0, 0, 0 ] ]

0.866496

null

pbe

true

9e435e7c513e5e5189ba3aacbe45ee60_164_Tm1Ga2F4

[ "B", "Rb", "Re" ]

5

A3BC

BRb3Re

Rb3 Re1 B1

3

[ 1, 1, 1 ]

3

[ [ 6.60628619, 0, 0 ], [ 0, 6.60628619, 0 ], [ 0, 0, 6.60628619 ] ]

agm002403865

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

[ "Re", "B", "Rb", "Rb", "Rb" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ -0.23847634, 0, 0 ], [ 0, -0.23847634, 0 ], [ 0, 0, -0.23847634 ] ]

-10.550851

[ 2.737, 0.539, 0.032, 0.024, 0.041 ]

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

5.737006

17.361866

pbe

true

730d53d88d0ce0b7112f81ba6dabec70_221_Rb3Re1B1

[ "Fe", "Y", "Zn" ]

10

A2B2C

Fe2YZn2

Y2 Zn4 Fe4

3

[ 1, 1, 1 ]

3

[ [ 7.5124455, 0, 0 ], [ 0, 7.5124455, 0 ], [ 0, 0, 2.77780705 ] ]

agm002976932

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

[ "Y", "Y", "Zn", "Zn", "Zn", "Zn", "Fe", "Fe", "Fe", "Fe" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 5.7553053, 0, 0 ], [ 0, 5.7553053, 0 ], [ 0, 0, 8.120938 ] ]

-51.147781

[ -0.06, -0.06, -0.064, -0.065, -0.064, -0.065, 2.228, 2.26, 2.228, 2.26 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.007289, 0.007289, 0 ], [ 0.007289, -0.007289, 0 ], [ -0.007289, -0.007289, 0 ], [ -0.007289, 0.007289, 0 ], [ 0.00128497, 0.00128497, 0 ], [ 0.00128497, -0.00128497, 0 ], [ -0.00128497, -0.00128497, 0 ], [ -0.00128497, 0.00128497, 0 ] ]

8.283819

7.602856

pbe

true

f9b14f7bfb3d9041bd8f1e0f5714c909_127_Y2Zn4Fe4

[ "Ga", "Na", "V" ]

8

A2BC

Ga2NaV

Na2 V2 Ga4

3

[ 1, 1, 1 ]

3

[ [ 4.49049155, 0, 0 ], [ 0, 4.49049155, 0 ], [ 2.24524578, 2.24524578, 9.24468522 ] ]

agm002865945

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

[ "Na", "Na", "Ga", "Ga", "Ga", "Ga", "V", "V" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.6519752, 0, 0 ], [ 0, 3.6519752, 0 ], [ 0, 0, 4.0122056 ] ]

-28.779565

[ 0.009, 0.009, -0.047, -0.047, -0.047, -0.047, 2.519, 2.519 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00177927, 0, 0 ], [ -0.00177927, 0, 0 ], [ 0, -0.00177927, 0 ], [ 0, 0.00177927, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

5.826387

8.124028

pbe

true

36e25e209c6c41dd7a6825fe1d6b2df3_122_Na2V2Ga4

[ "Bi", "Pu", "Tl" ]

4

A2BC

Bi2PuTl

Pu1 Tl1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 5.00319151, 0, 0 ], [ 2.50159575, 4.33289094, 0 ], [ 2.50159576, 1.44429698, 6.42930706 ] ]

agm005122985

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

[ "Pu", "Tl", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.868965, 0, 0 ], [ 0, 2.868965, 0 ], [ 0, 0, 2.7345672 ] ]

-24.508074

[ 5.344, -0.024, -0.03, -0.073 ]

[ [ 0, 0, -0.00385654 ], [ 0, 0, 0.0005042 ], [ 0, 0, 0.00014084 ], [ 0, 0, 0.00321151 ] ]

5.295942

15.37362

pbe

true

add0f0b3abe54927f27be8e6deb2d29a_160_Pu1Tl1Bi2

[ "In", "Pr", "Si" ]

18

A12B5C

InPr12Si5

Pr12 In1 Si5

3

[ 1, 1, 1 ]

3

[ [ 8.23358622, -0.05407384, -3.25046015 ], [ -4.27293671, 7.33966785, -2.49632455 ], [ -0.10689147, 0.05407386, 8.85132752 ] ]

agm006079462

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

[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "In", "Si", "Si", "Si", "Si", "Si" ]

2023-11-16 06:57:59

[ 0.05555555555555555, 0.6666666666666666, 0.2777777777777778 ]

[ [ 0.8324292, 0.03169414, 0.04612293 ], [ 0.03169414, 0.7703033, -0.04598714 ], [ 0.04612293, -0.04598714, 0.79729366 ] ]

-95.80192

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

[ [ 0.00249969, 0.00098906, 0.00057204 ], [ -0.00249969, -0.00098906, -0.00057204 ], [ 0.00142433, -0.00098906, 0.00213237 ], [ -0.00142433, 0.00098906, -0.00213237 ], [ 0.00136264, 0.00124997, 0.00252379 ], [ -0.00136264, -0.00124997, -0.00252379 ], [ -0.00284352, 0.00124997, -0.00037507 ], [ 0.00284352, -0.00124997, 0.00037507 ], [ 0.00020599, 0.00082164, -0.00029889 ], [ -0.00020599, -0.00082164, 0.00029889 ], [ -0.00045699, -0.00039792, 0.00066309 ], [ 0.00045699, 0.00039792, -0.00066309 ], [ 0, 0, 0 ], [ 0.00032688, 0.0006013, -0.0004743 ], [ -0.00032688, -0.0006013, 0.0004743 ], [ 0.00088936, -0.00150136, -0.00129043 ], [ -0.00088936, 0.00150136, 0.00129043 ], [ 0, 0, 0 ] ]

-0.000168

15.537201

pbe

true

695363dfbe75e055650e7cc61958eb6c_71_Pr12In1Si5

[ "Cs", "Ga", "In", "Te" ]

14

A4BCD

CsGaInTe4

Cs2 In2 Ga2 Te8

4

[ 1, 1, 1 ]

3

[ [ 7.33008495, 0, 0.04244079 ], [ 0, 7.35491099, 0 ], [ -2.85887075, 0, 10.83297366 ] ]

agm005054722

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

[ "Cs", "Cs", "In", "In", "Ga", "Ga", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.14285714285714285, 0.14285714285714285, 0.5714285714285714 ]

[ [ 0.6523866, 0, 0.02476563 ], [ 0, 0.6521694, 0 ], [ 0.0247656, 0, 0.76352596 ] ]

-44.885398

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

[ [ -0.00033221, 0, 0.00206026 ], [ 0.00033221, 0, -0.00206026 ], [ 0.00001411, 0, -0.00502154 ], [ -0.00001411, 0, 0.00502154 ], [ -0.00096504, 0, 0.00037606 ], [ 0.00096504, 0, -0.00037606 ], [ -0.00167153, 0.00191828, 0.00030665 ], [ 0.00167153, 0.00191828, -0.00030665 ], [ 0.00167153, -0.00191828, -0.00030665 ], [ -0.00167153, -0.00191828, 0.00030665 ], [ 0.00159576, 0, 0.0030739 ], [ -0.00159576, 0, -0.0030739 ], [ 0.00090463, 0, -0.00017219 ], [ -0.00090463, 0, 0.00017219 ] ]

-0

3.229235

pbe

true

847bd96dd12dabf179ef559f9b9818cf_11_Cs2In2Ga2Te8

[ "N", "O", "Pt", "Ti" ]

5

A2BCD

N2OPtTi

Ti1 Pt1 N2 O1

4

[ 1, 1, 1 ]

3

[ [ 3.8809386, 0, 0 ], [ 0, 3.8809386, 0 ], [ 0, 0, 3.96948534 ] ]

agm001728519

[ [ 0, 1.9404693, 0 ], [ 1.9404693, 0, 0 ], [ 0, 0, 1.98474267 ], [ 0, 0, 0 ], [ 1.9404693, 1.9404693, 1.98474267 ] ]

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

[ "N", "N", "O", "Pt", "Ti" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 1.1716107, 0, 0 ], [ 0, 1.1716107, 0 ], [ 0, 0, 1.1883626 ] ]

-32.023243

[ 0.002, 0.002, 0, 0.001, -0.009 ]

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

-0.002079

2.974776

pbe

true

8f733f796a6259e273ec13b86c241a5b_123_Ti1Pt1N2O1

[ "Au", "Cs", "Pa", "S" ]

8

A4B2CD

AuCs2PaS4

Cs2 Pa1 Au1 S4

4

[ 1, 1, 1 ]

3

[ [ 7.19558094, 0.06044046, 0.0925925 ], [ -3.01130869, 6.53544628, -0.09259245 ], [ -3.01130876, -2.71484235, 5.94560863 ] ]

agm004762380

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

2023-11-16 06:57:59

[ 0.125, 0.25, 0.125, 0.5 ]

[ [ 0.42622218, -0.0240566, -0.0368535 ], [ -0.02405635, 0.40356156, 0.02337916 ], [ -0.03685366, 0.0233789, 0.42411646 ] ]

-39.064296

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00018057, 0.00333678, 0.00217052 ], [ 0.00050583, 0.00043783, -0.00392814 ], [ 0.00294178, -0.00262491, 0.00057763 ], [ -0.00362818, -0.0011497, 0.00118 ] ]

-0.000001

-0.111462

pbe

true

d029c4cb295ffc8171b952ae1c1d3eba_82_Cs2Pa1Au1S4

[ "C", "Mg", "Sc", "Te" ]

8

A4B2CD

C2MgSc4Te

C2 Mg1 Sc4 Te1

4

[ 1, 1, 1 ]

3

[ [ 3.431219342, 0, 0 ], [ -1.715609671, 2.971523116, 0 ], [ 0, 0, 14.865874415 ] ]

oqmd-6842460

[ [ 0, 0, 3.43644 ], [ 0, 0, 11.42944 ], [ -1.4315815531647599e-16, 1.98102, 7.432940000000001 ], [ -1.4315815531647599e-16, 1.98102, 2.2377900000000004 ], [ 1.71561, 0.99051, 4.63764 ], [ 1.71561, 0.99051, 10.22824 ], [ -1.4315815531647599e-16, 1.98102, 12.628090000000002 ], [ 1.71561, 0.99051, 0 ] ]

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

[ "C", "C", "Mg", "Sc", "Sc", "Sc", "Sc", "Te" ]

2024-11-01 00:00:00

[ 0.25, 0.125, 0.5, 0.125 ]

[ [ 3.92463414, 0, 0 ], [ 0, 3.92463414, 0 ], [ 0, 0, 4.27842707 ] ]

-53.0655

[ -0.002, -0.002, 0.003, 0.005, 0.028, 0.029, 0.004, 0 ]

[ [ 0, 0, -0.04479 ], [ 0, 0, 0.04479 ], [ 0, 0, 0 ], [ 0, 0, -0.020588 ], [ 0, 0, 0.003023 ], [ 0, 0, -0.003023 ], [ 0, 0, 0.020588 ], [ 0, 0, 0 ] ]

0.157196

null

pbe

false

7891aac7a025cc74e795d0d2023904a6_187_Mg1Sc4Te1C2

[ "C", "Mo", "Os", "Ru" ]

5

A2BCD

CMoOs2Ru

Mo1 Ru1 Os2 C1

4

[ 1, 1, 1 ]

3

[ [ 4.63905551, 0, 0 ], [ 0, 4.66973564, 0 ], [ 0, 0, 4.63905551 ] ]

agm001489369

[ [ 0, 0, 0 ], [ 0, 2.33486782, 0 ], [ 0, 0, 2.319527755 ], [ 2.319527755, 0, 0 ], [ 2.319527755, 2.33486782, 2.319527755 ] ]

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

[ "Ru", "Mo", "Os", "Os", "C" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.22421202, 0, 0 ], [ 0, -2.798023, 0 ], [ 0, 0, 0.22421202 ] ]

-35.159046

[ -0.075, 0.746, 0.225, 0.267, -0.214 ]

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

0.871993

5.926794

pbe

true

9c4c55322def2624fe70436cb5eaa074_123_Mo1Ru1Os2C1

[ "Ag", "Hf", "V" ]

6

ABC

AgHfV

Hf2 V2 Ag2

3

[ 1, 1, 1 ]

3

[ [ 4.92369438, 0, -0.00159802 ], [ 0, 3.03829884, 0 ], [ -2.39668837, 0, 7.17256342 ] ]

agm002028755

[ [ 0.8935515768786441, 0, 6.596414234284705 ], [ 3.354940681519931, 0, 4.54626689215186 ], [ 0.828929168525878, 1.51914942, 0.09878651978584761 ], [ 3.3464554659769217, 1.51914942, 2.028306010976765 ], [ 0.8969398425754755, 1.51914942, 4.259998732656642 ], [ 0.8894989437042917, 0, 2.453532643416001 ] ]

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

[ "Hf", "Hf", "Ag", "Ag", "V", "V" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.10413, 0, 0.13935158 ], [ 0, 3.8403287, 0 ], [ 0.13935214, 0, 3.9655702 ] ]

-42.789197

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

[ [ -0.00025256, 0, 0.00102141 ], [ 0.00308618, 0, -0.0035236 ], [ -0.00255036, 0, 0.00518376 ], [ -0.00132835, 0, 0.00168035 ], [ 0.00420479, 0, 0.00136586 ], [ -0.0031597, 0, -0.00572779 ] ]

0.000005

6.242658

pbe

true

707acd17c1d929db78ade8a6f883b132_6_Hf2V2Ag2

[ "Ag", "Ni", "Tl" ]

10

A2B2C

Ag2NiTl2

Tl4 Ni2 Ag4

3

[ 1, 1, 1 ]

3

[ [ 6.86417035, 0, 0 ], [ 0, 6.86417035, 0 ], [ 0, 0, 4.61364398 ] ]

agm003004847

[ [ 0, 0, 0 ], [ 3.432085175, 3.432085175, 0 ], [ 1.196423656454337, 4.6285088314543374, 2.30682199 ], [ 4.6285088314543374, 5.667746693545663, 2.30682199 ], [ 5.667746693545663, 2.235661518545663, 2.30682199 ], [ 2.235661518545663, 1.196423656454337, 2.30682199 ], [ 2.434896122205518, 5.866981297205519, 0 ], [ 5.866981297205519, 4.429274227794481, 0 ], [ 4.429274227794481, 0.997189052794482, 0 ], [ 0.997189052794482, 2.434896122205518, 0 ] ]

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

[ "Ni", "Ni", "Tl", "Tl", "Tl", "Tl", "Ag", "Ag", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ -1.6116052, 0, 0 ], [ 0, -1.6116052, 0 ], [ 0, 0, -1.3447139 ] ]

-28.605988

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00572307, 0.00572307, 0 ], [ 0.00572307, -0.00572307, 0 ], [ -0.00572307, -0.00572307, 0 ], [ -0.00572307, 0.00572307, 0 ], [ 0.004046, 0.004046, 0 ], [ 0.004046, -0.004046, 0 ], [ -0.004046, -0.004046, 0 ], [ -0.004046, 0.004046, 0 ] ]

0

6.870046

pbe

true

652e8b93173eca0d48c147547dcd1c3c_127_Tl4Ni2Ag4

[ "As", "Fe", "Ru" ]

4

A2BC

As2FeRu

Fe1 As2 Ru1

3

[ 1, 1, 1 ]

3

[ [ 4.41105584, 0, 0 ], [ 2.20552792, 3.82008641, 0 ], [ 2.20552792, 1.27336214, 3.60161201 ] ]

agm004122935

[ [ 0, 0, 0 ], [ 6.616583760000001, 3.8200864125, 2.7012090075 ], [ 4.41105584, 2.546724275, 1.800806005 ], [ 2.20552792, 1.2733621375, 0.9004030025 ] ]

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

[ "As", "As", "Fe", "Ru" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.287838, 0, 0 ], [ 0, 3.287838, 0 ], [ 0, 0, 3.287838 ] ]

-25.359442

[ 0.054, 0.021, 2.777, 0.878 ]

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

3.829172

3.292937

pbe

true

f1dd0021f08ff79d1ae5bb73a5a483e6_216_Fe1As2Ru1

[ "B", "Mo", "Nb" ]

5

A3BC

BMo3Nb

Nb1 B1 Mo3

3

[ 1, 1, 1 ]

3

[ [ 4.24099535, 0, 0 ], [ 0, 4.24099535, 0 ], [ 0, 0, 4.24099535 ] ]

agm002406387

[ [ 0, 2.120497675, 0 ], [ 0, 0, 2.120497675 ], [ 2.120497675, 0, 0 ], [ 0, 0, 0 ], [ 2.120497675, 2.120497675, 2.120497675 ] ]

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

[ "Mo", "Mo", "Mo", "B", "Nb" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.3103442, 0, 0 ], [ 0, 0.3103442, 0 ], [ 0, 0, 0.3103442 ] ]

-48.412838

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

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

0

6.385314

pbe

true

f449dd9a2166575a9d564b706f786c7b_221_Nb1B1Mo3

[ "Be", "Sb", "Sr" ]

4

A2BC

BeSbSr2

Sr2 Be1 Sb1

3

[ 1, 1, 1 ]

3

[ [ 4.70314176, 0, 0 ], [ 0, 4.70314176, 0 ], [ 0, 0, 6.58925142 ] ]

agm003856705

[ [ 2.35157088, 2.35157088, 5.778109035226807 ], [ 0, 0, 2.4575161396608145 ], [ 0, 0, 5.7565404385537216 ], [ 2.35157088, 2.35157088, 2.480962936558657 ] ]

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

[ "Sb", "Be", "Sr", "Sr" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.13673475, 0, 0 ], [ 0, 0.13673475, 0 ], [ 0, 0, 0.33673754 ] ]

-11.111358

[ 0.029, 0.109, 0.008, 0.071 ]

[ [ 0, 0, -0.00721305 ], [ 0, 0, 0.01487562 ], [ 0, 0, -0.00309783 ], [ 0, 0, -0.00456474 ] ]

0.834535

3.354904

pbe

true

3e95613a1b8c79e5b4cc154ccd8166be_99_Sr2Be1Sb1

[ "Br", "Hg", "In" ]

4

A2BC

Br2HgIn

In1 Hg1 Br2

3

[ 1, 1, 1 ]

3

[ [ 3.96757059, 0.10543453, 0 ], [ -1.24053506, 3.7701201, 0 ], [ 0, 0, 8.34949534 ] ]

agm004016800

[ [ 1.3635177649999999, 1.9377773150000002, 2.087373835 ], [ 0, 0, 8.129436207808867 ], [ 0, 0, 4.394806802191133 ], [ 1.3635177649999999, 1.9377773150000002, 6.2621215050000005 ] ]

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

[ "Hg", "Br", "Br", "In" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.3853972, -0.1909774, 0 ], [ -0.1909774, 2.2483692, 0 ], [ 0, 0, 2.2975645 ] ]

-7.649793

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00118608 ], [ 0, 0, -0.00118608 ], [ 0, 0, 0 ] ]

0

3.252325

pbe

true

4861d36e4afdac7d37c6a46b611dede4_65_In1Hg1Br2

[ "Au", "Nb", "Rh" ]

4

A2BC

AuNb2Rh

Nb2 Rh1 Au1

3

[ 1, 1, 1 ]

3

[ [ 3.84232332, 0, 0 ], [ 1.92116166, 3.32754961, 0 ], [ 1.92116166, 1.1091832, 6.18109686 ] ]

agm005119153

[ [ 1.9211616407883834, 1.1091831896046231, 4.889639497800924 ], [ 1.9211616792116168, 1.1091832137280841, 1.2926180485674468 ], [ 3.8423213796267235, 2.2183652863645555, 0.05020836987312541 ], [ 3.8423233199999998, 2.2183664050277057, 3.0391731308506755 ] ]

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

[ "Nb", "Nb", "Rh", "Au" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.577491, 0, 0 ], [ 0, 5.577491, 0 ], [ 0, 0, 5.3417654 ] ]

-29.891608

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00244783 ], [ 0, 0, 0.00196157 ], [ 0, 0, 0.00342291 ], [ 0, 0, -0.00293665 ] ]

0.000004

5.074045

pbe

true

2b40c42dfb429cda47d2738e505a61b9_160_Nb2Rh1Au1

[ "Ac", "K" ]

2

AB

AcK

K1 Ac1

2

[ 1, 1, 1 ]

3

[ [ 4.00687351, -0.00072722, 0 ], [ 2.00268517, 3.47127978, 0 ], [ 0, 0, 18.59166849 ] ]

agm2000122136

[ [ 4.731363462733622, 2.1401569742679394, 11.091668575288814 ], [ 2.7152972466454526, 0.9709760476572628, 7.499999914711185 ] ]

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

[ "Ac", "K" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.31902, -0.0068274, -0.02294816 ], [ -0.00682735, 0.3288022, -0.02185188 ], [ -0.02294804, -0.02185188, -0.01389945 ] ]

-4.144484

[ 0, 0 ]

[ [ -0.00105087, -0.00087284, 0.00153934 ], [ 0.00105087, 0.00087284, -0.00153934 ] ]

0.000018

1.583751

pbe

true

cf6503c29c7bd5c0404d5792efb36887_8_K1Ac1

[ "Ge", "Os", "Tb" ]

12

A4BC

Ge4OsTb

Tb2 Ge8 Os2

3

[ 1, 1, 1 ]

3

[ [ 5.05393551, 0, 0 ], [ 0, 5.05393551, 0 ], [ 0, 0, 10.15951053 ] ]

agm003748997

[ [ 0, 0, 5.079755265 ], [ 2.526967755, 2.526967755, 0 ], [ 1.3007862174089835, 0, 2.0405534371918215 ], [ 3.7531492925910164, 0, 2.0405534371918215 ], [ 0, 3.7531492925910164, 8.118957092808179 ], [ 0, 1.3007862174089835, 8.118957092808179 ], [ 2.526967755, 1.2261815375910163, 7.120308702191822 ], [ 3.827753972408983, 2.526967755, 3.0392018278081787 ], [ 1.2261815375910163, 2.526967755, 3.0392018278081787 ], [ 2.526967755, 3.827753972408983, 7.120308702191822 ], [ 0, 0, 0 ], [ 2.526967755, 2.526967755, 5.079755265 ] ]

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

[ "Tb", "Tb", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Os", "Os" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 2.8547928, 0, 0 ], [ 0, 2.8547928, 0 ], [ 0, 0, 2.914175 ] ]

-67.114192

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01153026, 0, 0.00056066 ], [ -0.01153026, 0, 0.00056066 ], [ 0, -0.01153026, -0.00056066 ], [ 0, 0.01153026, -0.00056066 ], [ 0, -0.01153026, 0.00056066 ], [ 0.01153026, 0, -0.00056066 ], [ -0.01153026, 0, -0.00056066 ], [ 0, 0.01153026, 0.00056066 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000007

9.679738

pbe

true

199dee7a4df8507b871d638b7dbf3e2f_137_Tb2Ge8Os2

[ "I", "Sn", "Tc" ]

8

A2BC

ISn2Tc

Tc2 Sn4 I2

3

[ 1, 1, 1 ]

3

[ [ 6.62345163, 0, 0 ], [ 0, 6.62345163, 0 ], [ 3.31172582, 3.31172582, 6.69320494 ] ]

agm002896588

[ [ 0, 0, 0 ], [ 6.6234516325, 3.3117258175, 3.34660247 ], [ 4.3166577549439795, 1.65586290875, 1.673301235 ], [ 2.306793877556021, 4.96758872375, 1.673301235 ], [ 4.96758872625, 5.618519695056021, 5.019903705 ], [ 8.27931454125, 7.628383572443979, 5.019903705 ], [ 3.311725815, 3.311725815, 0 ], [ 3.3117258175, 6.6234516325, 3.34660247 ] ]

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

[ "I", "I", "Sn", "Sn", "Sn", "Sn", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.658699, 0, 0 ], [ 0, 2.658699, 0 ], [ 0, 0, 2.7374237 ] ]

-35.13992

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0127695, 0, 0 ], [ -0.0127695, 0, 0 ], [ 0, -0.0127695, 0 ], [ 0, 0.0127695, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

4.859477

pbe

true

6a7886bc4bf953bd415130659cddedf7_122_Tc2Sn4I2

[ "Rh", "Ta" ]

12

A2B

Rh2Ta

Rh2 Ta1

2

[ 1, 1, 1 ]

3

[ [ 5.476108269, 0, 0 ], [ 0, 4.081571561, 0 ], [ 0, 0, 8.209556661 ] ]

oqmd-9673686

[ [ 1.90957, 3.06118, 0.5834099999999999 ], [ 0.43715, 1.02039, 1.86908 ], [ 3.1752, 1.02039, 2.2357 ], [ 4.64762, 3.06118, 3.52137 ], [ 0.82849, 1.02039, 4.68819 ], [ 2.30091, 3.06118, 5.97386 ], [ 5.03896, 3.06118, 6.3404799999999994 ], [ 3.56654, 1.02039, 7.626150000000001 ], [ 4.55823, 3.06118, 0.8574499999999999 ], [ 1.82017, 3.06118, 3.2473299999999994 ], [ 3.65594, 1.02039, 4.96223 ], [ 0.91788, 1.02039, 7.352109999999999 ] ]

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

[ "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Ta", "Ta", "Ta", "Ta" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 21.69845989, 0, 0 ], [ 0, 26.45401387, 0 ], [ 0, 0, 21.24571004 ] ]

-112.582

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

[ [ 0.012149, 0, 0.019125 ], [ 0.023449, 0, 0.035065 ], [ 0.023449, 0, -0.035065 ], [ 0.012149, 0, -0.019125 ], [ -0.012149, 0, 0.019125 ], [ -0.023449, 0, 0.035065 ], [ -0.023449, 0, -0.035065 ], [ -0.012149, 0, -0.019125 ], [ 0.001615, 0, -0.006876 ], [ 0.001615, 0, 0.006876 ], [ -0.001615, 0, -0.006876 ], [ -0.001615, 0, 0.006876 ] ]

-0.013089

null

pbe

false

fe1bd7b7b34eebdbafddc95576d6444b_62_Ta4Rh8

[ "C", "Mo", "O" ]

8

A2BC

C2MoO

Mo2 C4 O2

3

[ 1, 1, 1 ]

3

[ [ 4.54672194, 0, 0 ], [ 0, 4.54672194, 0 ], [ 2.27336097, 2.27336097, 4.48464387 ] ]

agm002807038

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

[ "Mo", "Mo", "C", "C", "C", "C", "O", "O" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.5714774, 0, 0 ], [ 0, 0.5714774, 0 ], [ 0, 0, 0.6336282 ] ]

-46.528615

[ 1.373, 1.373, -0.087, -0.087, -0.087, -0.087, 0.202, 0.202 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0031811, 0, 0 ], [ 0.0031811, 0, 0 ], [ 0, 0.0031811, 0 ], [ 0, -0.0031811, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.990263

4.232678

pbe

true

3e11dc60ef5b4dcbc59a7f011f1ba84e_122_Mo2C4O2

[ "In", "Li", "Zr" ]

4

A2BC

In2LiZr

Li1 Zr1 In2

3

[ 1, 1, 1 ]

3

[ [ 4.94971861, 0, 0 ], [ 2.4748593, 4.28658206, 0 ], [ 2.4748593, 1.42886069, 4.04142831 ] ]

agm002284049

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

[ "Li", "Zr", "In", "In" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.1339111, 0, 0 ], [ 0, 2.1339111, 0 ], [ 0, 0, 2.1339111 ] ]

-16.5519

[ 0, 0, 0, 0 ]

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

0

2.756923

pbe

true

80b2038830e28ea0a2489ed239074742_225_Li1Zr1In2

[ "Nb", "Ta", "Tc" ]

5

A3BC

Nb3TaTc

Ta1 Nb3 Tc1

3

[ 1, 1, 1 ]

3

[ [ 4.83360248, 0, 0 ], [ 0, 4.83360248, 0 ], [ 0, 0, 4.83360248 ] ]

agm002550972

[ [ 0, 2.41680124, 0 ], [ 0, 0, 2.41680124 ], [ 2.41680124, 0, 0 ], [ 2.41680124, 2.41680124, 2.41680124 ], [ 0, 0, 0 ] ]

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

[ "Nb", "Nb", "Nb", "Tc", "Ta" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 5.1110888, 0, 0 ], [ 0, 5.1110888, 0 ], [ 0, 0, 5.1110888 ] ]

-43.360032

[ -0.068, -0.084, -0.18, 1.895, 0.021 ]

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

1.768527

6.163775

pbe

true

64e4a8fefc5154fd789b373e13d53f00_221_Ta1Nb3Tc1

[ "Al", "Cu", "Mg", "Pr" ]

6

A2B2CD

Al2Cu2MgPr

Pr1 Mg1 Al2 Cu2

4

[ 1, 1, 1 ]

3

[ [ 4.31012304, 0, 0 ], [ -2.15506152, 3.73267605, 0 ], [ 0, 0, 7.14797666 ] ]

agm004744343

[ [ 0, 0, 0 ], [ 0, 0, 3.57398833 ], [ -2.155061537164269e-8, 2.4884507124422535, 5.020171042197896 ], [ 2.155061541550615, 1.2442253375577463, 2.127805617802104 ], [ -2.155061537164269e-8, 2.4884507124422535, 2.219773772862195 ], [ 2.155061541550615, 1.2442253375577463, 4.928202887137806 ] ]

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

[ "Pr", "Mg", "Al", "Al", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666 ]

[ [ -1.4865631, 0, 0 ], [ 0, -1.4865631, 0 ], [ 0, 0, -2.5326405 ] ]

-23.899527

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00466698 ], [ 0, 0, -0.00466698 ], [ 0, 0, 0.02773701 ], [ 0, 0, -0.02773701 ] ]

-0

2.307303

pbe

true

dba9ce23b2cd118e23eeb67f4c5f6b36_164_Pr1Mg1Al2Cu2

[ "Hg", "N", "P", "Sr" ]

20

A6B2CD

Hg2NPSr6

Sr12 Hg4 P2 N2

4

[ 1, 1, 1 ]

3

[ [ 7.62134416, 0, 0.04744941 ], [ 0, 8.00483023, 0 ], [ 0.13351528, 0, 11.00562519 ] ]

agm004971399

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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Hg", "Hg", "Hg", "Hg", "P", "P", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.1, 0.1, 0.6 ]

[ [ 0.06076873, 0, -0.01282171 ], [ 0, -0.10625341, 0 ], [ -0.0128217, 0, -0.02162507 ] ]

-60.23441

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

[ [ 0.00119218, -0.00021348, -0.00044542 ], [ 0.00119218, 0.00021348, -0.00044542 ], [ -0.00119218, 0.00021348, 0.00044542 ], [ -0.00119218, -0.00021348, 0.00044542 ], [ 0.0001269, -0.00021068, 0.0012753 ], [ 0.0001269, 0.00021068, 0.0012753 ], [ -0.0001269, 0.00021068, -0.0012753 ], [ -0.0001269, -0.00021068, -0.0012753 ], [ 0.00057795, -0.00107529, 0.00113283 ], [ 0.00057795, 0.00107529, 0.00113283 ], [ -0.00057795, 0.00107529, -0.00113283 ], [ -0.00057795, -0.00107529, -0.00113283 ], [ 0.00003017, 0.00361679, 0.0000836 ], [ 0.00003017, -0.00361679, 0.0000836 ], [ -0.00003017, -0.00361679, -0.0000836 ], [ -0.00003017, 0.00361679, -0.0000836 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000107

17.115856

pbe

true

cea5be0f949e03ccef1f2a3b84ea2207_14_Sr12Hg4P2N2

[ "Fe", "Rh", "Sc" ]

12

A9B2C

FeRh9Sc2

Sc2 Fe1 Rh9

3

[ 1, 1, 1 ]

3

[ [ 3.88293148, 0, 0 ], [ 0, 3.88293148, 0 ], [ 0, 0, 11.71937608 ] ]

agm005875774

[ [ 0, 0, 3.879834106915159 ], [ 0, 0, 7.839541973084842 ], [ 0, 0, 0 ], [ 1.94146574, 1.94146574, 0 ], [ 1.94146574, 1.94146574, 3.8658610948149748 ], [ 1.94146574, 1.94146574, 7.853514985185025 ], [ 1.94146574, 0, 1.8401091628629007 ], [ 1.94146574, 0, 5.85968804 ], [ 1.94146574, 0, 9.8792669171371 ], [ 0, 1.94146574, 1.8401091628629007 ], [ 0, 1.94146574, 5.85968804 ], [ 0, 1.94146574, 9.8792669171371 ] ]

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

[ "Sc", "Sc", "Fe", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.75, 0.16666666666666666 ]

[ [ 12.5170965, 0, 0 ], [ 0, 12.5170965, 0 ], [ 0, 0, 12.985431 ] ]

-92.353437

[ 0.013, 0.013, 3.009, 0.156, 0.006, 0.006, 0.156, -0.015, 0.156, 0.156, -0.015, 0.156 ]

[ [ 0, 0, 0.00504735 ], [ 0, 0, -0.00504735 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00352419 ], [ 0, 0, -0.00352419 ], [ 0, 0, -0.00348919 ], [ 0, 0, 0 ], [ 0, 0, 0.00348919 ], [ 0, 0, -0.00348919 ], [ 0, 0, 0 ], [ 0, 0, 0.00348919 ] ]

3.766346

13.149737

pbe

true

1b815f35772a26f69ccc85c035871003_123_Sc2Fe1Rh9

[ "Ge", "K" ]

3

A2B

Ge2K

K1 Ge2

2

[ 1, 1, 1 ]

3

[ [ 3.49312387, 0, 0 ], [ 0, 3.49312387, 0 ], [ -1.74656193, -1.74656193, 6.29135331 ] ]

agm001851359

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

[ "Ge", "Ge", "K" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 2.0492442, 0, 0 ], [ 0, 2.0492442, 0 ], [ 0, 0, 2.5747006 ] ]

-10.209635

[ 0, 0, 0 ]

[ [ 0, 0, 0.00521041 ], [ 0, 0, -0.00521041 ], [ 0, 0, 0 ] ]

0.000007

0.571972

pbe

true

fc2f7b5907c0fa0992c566a7f11eb8a7_139_K1Ge2

[ "Ge", "Pr" ]

9

A2B

GePr2

Ge1 Pr2

2

[ 1, 1, 1 ]

3

[ [ 8.28907293, 0, 0 ], [ -4.144536465, 7.178547731, 0 ], [ 0, 0, 4.325597466 ] ]

oqmd-6216405

[ [ 4.14454, 2.39285, 0 ], [ 1.807907050724681e-16, 4.7857, 0 ], [ 0, 0, 2.1628 ], [ 6.08131, 0, 0 ], [ 1.1038799999999998, 1.91198, 0 ], [ -3.040655607291531, 5.26657, 0 ], [ 3.39864, 0, 2.1628 ], [ -1.6993208208563138, 2.94331, 2.1628 ], [ 2.44522, 4.23524, 2.1628 ] ]

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

[ "Ge", "Ge", "Ge", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 2.88852592, 0, 0 ], [ 0, 2.88852592, 0 ], [ 0, 0, 6.46436055 ] ]

-47.878

[ -0.011, -0.011, -0.016, 0.089, 0.088, 0.104, 0.117, 0.111, 0.108 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.004165, 0, 0 ], [ -0.002082, -0.003607, 0 ], [ -0.002082, 0.003607, 0 ], [ 0.023214, 0, 0 ], [ -0.011607, 0.020104, 0 ], [ -0.011607, -0.020104, 0 ] ]

1.2505

null

pbe

true

998469c988ad27b91be7da4fdf4be091_189_Pr6Ge3

[ "Pr", "Zn" ]

6

A2B

PrZn2

Pr1 Zn2

2

[ 1, 1, 1 ]

3

[ [ -2.307007142, 3.729675963, 3.816366604 ], [ 2.307007142, -3.729675963, 3.816366604 ], [ 2.307007142, 3.729675963, -3.816366604 ] ]

oqmd-5794389

[ [ -1.9227282351469537e-17, 1.86484, 4.0626 ], [ 2.3070099999999996, 1.86484, -0.2462300000000002 ], [ -3.3690530509994423e-17, 0.37486000000000014, 1.26683 ], [ -7.737931110943248e-17, 3.35482, 1.26683 ], [ 2.3070099999999996, 0.37486, 2.549540000000001 ], [ 2.30701, 3.3548200000000006, 2.5495399999999995 ] ]

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

[ "Pr", "Pr", "Zn", "Zn", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 8.00864957, 0, 0 ], [ 0, 5.74859453, 0 ], [ 0, 0, 5.64304178 ] ]

-16.7664

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

[ [ 0, 0, 0.057543 ], [ 0, 0, -0.057543 ], [ 0, 0.043521, -0.004622 ], [ 0, -0.043521, -0.004622 ], [ 0, 0.043521, 0.004622 ], [ 0, -0.043521, 0.004622 ] ]

-0.011536

null

pbe

true

c57b58fe46c4a79b3277c829dc034d5c_74_Pr2Zn4

[ "P", "Re", "S" ]

5

A3BC

P3ReS

Re1 P3 S1

3

[ 1, 1, 1 ]

3

[ [ 4.26266985, 0, 0 ], [ 0, 4.26266985, 0 ], [ 0, 0, 4.26266985 ] ]

agm002566249

[ [ 2.131334925, 2.131334925, 2.131334925 ], [ 0, 0, 0 ], [ 0, 2.131334925, 0 ], [ 0, 0, 2.131334925 ], [ 2.131334925, 0, 0 ] ]

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

[ "Re", "S", "P", "P", "P" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ -1.2007663, 0, 0 ], [ 0, -1.2007663, 0 ], [ 0, 0, -1.2007663 ] ]

-26.077651

[ 0.772, -0.028, -0.038, -0.034, -0.033 ]

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

0.692849

6.036354

pbe

true

c50d71013093d858d6b864f29f3e7762_221_Re1P3S1

[ "Ag", "Br", "Cs", "Tl" ]

20

A12B4C3D

Ag3Br12Cs4Tl

Cs4 Tl1 Ag3 Br12

4

[ 1, 1, 1 ]

3

[ [ 9.64720958, 0, 0 ], [ -3.21573653, 9.09547641, 0 ], [ -3.21573653, -4.54773821, 7.87691363 ] ]

agm004704955

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

[ "Cs", "Cs", "Cs", "Cs", "Tl", "Ag", "Ag", "Ag", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.15, 0.6, 0.2, 0.05 ]

[ [ 1.0311502, 0, 0 ], [ 0, 1.0311502, 0 ], [ 0, 0, 1.0311502 ] ]

-53.473833

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

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-0

5.919101

pbe

true

a4d702efdcd0c146450e6f21b09f0ae1_229_Cs4Tl1Ag3Br12

[ "Ga", "Nb", "Rh", "Tb" ]

20

A5B2C2D

Ga2NbRh5Tb2

Tb4 Nb2 Ga4 Rh10

4

[ 1, 1, 1 ]

3

[ [ 3.55814703, 0, 0 ], [ 0, 9.86398663, 0 ], [ 0, 0, 9.86398663 ] ]

agm005141122

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

[ "Tb", "Tb", "Tb", "Tb", "Nb", "Nb", "Ga", "Ga", "Ga", "Ga", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.2, 0.1, 0.5, 0.2 ]

[ [ 7.886182, 0, 0 ], [ 0, 7.9203734, 0 ], [ 0, 0, 7.9203734 ] ]

-139.066807

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

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-0.000029

9.4901

pbe

true

5c107c87343a7a68bdb00ba17b5bf624_127_Tb4Nb2Ga4Rh10

[ "Al", "As", "Dy", "O" ]

8

ABCD

AlAsDyO

Dy2 Al2 As2 O2

4

[ 1, 1, 1 ]

3

[ [ 4.01335391, 0, 0 ], [ 0, 4.01335391, 0 ], [ 0, 0, 8.97627946 ] ]

agm002366797

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

[ "As", "As", "Al", "Al", "O", "O", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -0.03040942, 0, 0 ], [ 0, -0.03040942, 0 ], [ 0, 0, 0.21179385 ] ]

-49.361819

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

[ [ 0, 0, -0.00064438 ], [ 0, 0, 0.00074799 ], [ 0, 0, -0.0002947 ], [ 0, 0, -0.0002947 ], [ 0, 0, -0.00057218 ], [ 0, 0, -0.00057218 ], [ 0, 0, -0.00131842 ], [ 0, 0, 0.00294856 ] ]

-0

1.914028

pbe

true

00047b4e89fffb967a13e0b1e7fb4ef6_129_Dy2Al2As2O2

[ "Fe", "Ge", "U" ]

12

A4BC

Fe4GeU

U2 Fe8 Ge2

3

[ 1, 1, 1 ]

3

[ [ 4.67603519, 0, 0 ], [ 0, 4.67603519, 0 ], [ -2.33801759, -2.3380176, 8.63748253 ] ]

agm003752328

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

[ "U", "U", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 6.261741, 0, 0 ], [ 0, 6.261741, 0 ], [ 0, 0, 6.6188455 ] ]

-95.567813

[ -1.914, -1.914, 1.831, 1.831, 1.831, 1.831, 1.831, 1.831, 1.831, 1.831, -0.052, -0.052 ]

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10.42256

13.627752

pbe

true

2389cc132407f257bfd842a73b8bacac_141_U2Fe8Ge2

[ "Li", "Na", "Pb", "Rb" ]

5

A2BCD

LiNaPb2Rb

Rb1 Na1 Li1 Pb2

4

[ 1, 1, 1 ]

3

[ [ 5.37284443, 0, 0 ], [ 0, 5.37284443, 0 ], [ 0, 0, 5.74999256 ] ]

agm001608769

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

[ "Pb", "Pb", "Na", "Rb", "Li" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 2.4699798, 0, 0 ], [ 0, 2.4699798, 0 ], [ 0, 0, 2.5960681 ] ]

-11.794493

[ 0, 0, 0, 0, 0 ]

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

0

1.269695

pbe

true

747c46edae9f01c25dad38cd9a47392a_123_Rb1Na1Li1Pb2

[ "Nb", "Nd", "O", "Pr" ]

12

A8B2CD

Nb2NdO8Pr

Pr1 Nd1 Nb2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.39569898, -8e-8, 0 ], [ 8e-8, 5.39569898, 0 ], [ -2.69784953, -2.69784945, 5.7956947 ] ]

agm004897223

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

[ "Pr", "Nd", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.08333333333333333, 0.6666666666666666, 0.08333333333333333 ]

[ [ 0.67656577, -5e-7, 0 ], [ 5e-7, 0.67656577, 0 ], [ 0, 0, 0.7858822 ] ]

-105.97088

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

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0

pbe

true

e11528edd1c05cd2aece9c359edcf8e8_82_Pr1Nd1Nb2O8

[ "Lu", "Nd", "Pa" ]

3

ABC

LuNdPa

Nd1 Lu1 Pa1

3

[ 1, 1, 1 ]

3

[ [ 3.42702491, 0, 0 ], [ -1.71351245, 2.96789063, 0 ], [ 0, 0, 8.603223 ] ]

agm001279958

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

[ "Pa", "Nd", "Lu" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.7573338, 0, 0 ], [ 0, 0.7573338, 0 ], [ 0, 0, 0.8829393 ] ]

-18.35412

[ 0, 0, 0 ]

[ [ 0, 0, 0.00768352 ], [ 0, 0, -0.00612148 ], [ 0, 0, -0.00156204 ] ]

0.000176

4.34253

pbe

true

69d52be7dc1a6afb14c7e9969cb3e453_156_Nd1Lu1Pa1

[ "Ca", "Na" ]

10

A4B

Ca4Na

Na2 Ca8

2

[ 1, 1, 1 ]

3

[ [ 7.55965696, 0, 0 ], [ 3.77982848, 6.05704476, 0.796453 ], [ 3.77982848, 1.82156971, 9.36745782 ] ]

agm003297416

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

[ "Na", "Na", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca" ]

2023-11-16 06:57:59

[ 0.8, 0.2 ]

[ [ 1.0375444, 0, 0 ], [ 0, 1.0484283, 0.034698 ], [ 0, 0.03469776, 0.77195954 ] ]

-17.972651

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

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0.000018

9.516647

pbe

true

39ab9c3577a063cf1a6d4e661c9d4ead_12_Na2Ca8

[ "Cl", "Fe", "Se" ]

10

A2B2C

Cl2Fe2Se

Fe4 Se2 Cl4

3

[ 1, 1, 1 ]

3

[ [ 3.74730869, 1e-8, 0 ], [ 9.3e-7, 8.34219709, 0 ], [ 0, 0, 20.27784063 ] ]

agm2000095817

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

[ "Fe", "Fe", "Fe", "Fe", "Se", "Se", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 0.89155614, 9e-8, 0 ], [ 9e-8, 0.7750413, 0 ], [ 0, 0, -0.33812088 ] ]

-51.879103

[ 3.351, 3.351, 3.351, 3.351, 0.28, 0.28, 0.146, 0.146, 0.146, 0.146 ]

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15.659495

10.554392

pbe

true

a634e058644ced100cf6868eba50dcca_47_Fe4Se2Cl4

[ "Co", "Cu", "Se" ]

9

A4B3C2

Co2Cu3Se4

Co2 Cu3 Se4

3

[ 1, 1, 1 ]

3

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agm2000076729

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[ "Co", "Co", "Cu", "Cu", "Cu", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.3333333333333333, 0.4444444444444444 ]

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2.821937

7.294037

pbe

true

04f9f9ce06101dd976a9d80c2b23776e_6_Co2Cu3Se4

[ "Er", "Pd", "Te" ]

80

A12B5C3

Er3Pd5Te12

Er12 Te48 Pd20

3

[ 1, 1, 1 ]

3

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agm001826064

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

[ "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.15, 0.25, 0.6 ]

[ [ 1.0058944, 0, 0 ], [ 0, 1.0058944, 0 ], [ 0, 0, 1.0058944 ] ]

-354.30449

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-0

41.811546

pbe

true

443aa7b607e3d317a00f3acd1796827e_230_Er12Te48Pd20

[ "Ag", "Ni", "Ta" ]

5

A3BC

Ag3NiTa

Ta1 Ni1 Ag3

3

[ 1, 1, 1 ]

3

[ [ 5.11204287, 0, 0 ], [ 0, 5.11204287, 0 ], [ 0, 0, 5.11204287 ] ]

agm002553864

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

[ "Ni", "Ag", "Ag", "Ag", "Ta" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ -1.6320097, 0, 0 ], [ 0, -1.6320097, 0 ], [ 0, 0, -1.6320097 ] ]

-16.565151

[ 0.866, 0.019, 0.05, 0.013, 0.131 ]

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1.075729

10.742067

pbe

true

d80aecff310fa577fe5df35bf71aad52_221_Ta1Ni1Ag3

[ "Ba", "Mo", "O" ]

8

A2BC

BaMo2O

Ba2 Mo4 O2

3

[ 1, 1, 1 ]

3

[ [ 6.96603501, 0, 0 ], [ 0, 6.96603501, 0 ], [ 3.48301751, 3.48301751, 4.93713978 ] ]

agm002872262

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

[ "Mo", "Mo", "Mo", "Mo", "Ba", "Ba", "O", "O" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.9643656, 0, 0 ], [ 0, 1.9643656, 0 ], [ 0, 0, 2.089577 ] ]

-41.525224

[ 3.475, 3.504, 3.492, 3.436, -0.05, -0.05, 0.037, 0.037 ]

[ [ 8e-8, 0, 0 ], [ -8e-8, 0, 0 ], [ 0, -8e-8, 0 ], [ 0, 8e-8, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

15.793899

5.319038

pbe

true

fb3aecf5c972f28bd8b52ccabe76e820_227_Ba2Mo4O2

[ "Fe", "H", "Ir", "Os" ]

5

A2BCD

Fe2HIrOs

Fe2 H1 Ir1 Os1

4

[ 1, 1, 1 ]

3

[ [ 3.75022072, 0, 0 ], [ 0, 3.75022072, 0 ], [ 0, 0, 3.71420281 ] ]

agm001638162

[ [ 0, 0, 0 ], [ 0, 0, 1.857101405 ], [ 1.87511036, 1.87511036, 1.857101405 ], [ 0, 1.87511036, 0 ], [ 1.87511036, 0, 0 ] ]

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

[ "H", "Ir", "Os", "Fe", "Fe" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 7.8359804, 0, 0 ], [ 0, 7.8359804, 0 ], [ 0, 0, 7.227521 ] ]

-39.574815

[ -0.005, -0.014, 0.083, 0.542, 0.542 ]

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

1.14641

5.303632

pbe

true

7257761294f88b55fdf21b9b14061683_123_Fe2H1Ir1Os1

[ "Ga", "Li", "Si" ]

5

A2B2C

Ga2LiSi2

Li1 Ga2 Si2

3

[ 1, 1, 1 ]

3

[ [ 4.19590425, 0, 0 ], [ 0, 4.19590425, 0 ], [ 2.09795212, 2.09795212, 5.31402953 ] ]

agm002929507

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

[ "Si", "Si", "Ga", "Ga", "Li" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 2.0325816, 0, 0 ], [ 0, 2.0325816, 0 ], [ 0, 0, 1.824383 ] ]

-18.331617

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00466626 ], [ 0, 0, 0.00466626 ], [ 0, 0, 0 ] ]

0.000001

1.104062

pbe

true

3205b2db886dff091df5948764a68dea_139_Li1Ga2Si2

[ "Cl", "H", "K", "Mn", "O" ]

22

A4B3C2DE

Cl3H4KMnO2

K2 Mn2 H8 Cl6 O4

5

[ 1, 1, 1 ]

3

[ [ -5.97370931, 1.60192967, 0.63867941 ], [ 0.93082479, 6.13159041, 0.0459451 ], [ 1.49868819, -3.76505048, -10.43973498 ] ]

agm005242794

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

[ "K", "K", "Mn", "Mn", "H", "H", "H", "H", "H", "H", "H", "H", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2727272727272727, 0.36363636363636365, 0.09090909090909091, 0.09090909090909091, 0.18181818181818182 ]

[ [ 0.2950074, -0.06090567, -0.19948088 ], [ -0.06090572, 0.41233972, 0.12200097 ], [ -0.19948082, 0.12200091, 1.3178666 ] ]

-103.635293

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[ [ 0.00031515, -0.0009509, 0.00116269 ], [ -0.00031515, 0.0009509, -0.00116269 ], [ -0.00111241, 0.0001935, -0.00891279 ], [ 0.00111241, -0.0001935, 0.00891279 ], [ -0.00418401, -0.00229711, 0.00144831 ], [ 0.00418401, 0.00229711, -0.00144831 ], [ 0.00416994, 0.0027504, -0.00078089 ], [ -0.00416994, -0.0027504, 0.00078089 ], [ 0.00234073, 0.00128381, 0.00004083 ], [ -0.00234073, -0.00128381, -0.00004083 ], [ -0.00199452, -0.00194858, 0.00194366 ], [ 0.00199452, 0.00194858, -0.00194366 ], [ 0.00009974, 0.00160984, -0.0010517 ], [ -0.00009974, -0.00160984, 0.0010517 ], [ -0.00103389, -0.0019639, -0.00130128 ], [ 0.00103389, 0.0019639, 0.00130128 ], [ 0.0019999, 0.00012001, -0.00105256 ], [ -0.0019999, -0.00012001, 0.00105256 ], [ -0.00117652, 0.00265616, -0.00089521 ], [ 0.00117652, -0.00265616, 0.00089521 ], [ -0.00000547, -0.00300114, -0.00503169 ], [ 0.00000547, 0.00300114, 0.00503169 ] ]

10.000007

0

pbe

true

5139a070478f3af56f69eec3e1bddafd_2_K2Mn2H8Cl6O4

[ "Ga", "P", "Sr" ]

4

A2BC

GaPSr2

Sr2 Ga1 P1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.80802192, 3.80802192 ], [ 3.80802192, 0, 3.80802192 ], [ 3.80802192, 3.80802192, 0 ] ]

agm002722622

[ [ 1.90401096, 1.90401096, 1.90401096 ], [ 5.71203288, 5.71203288, 5.71203288 ], [ 3.80802192, 3.80802192, 3.80802192 ], [ 0, 0, 0 ] ]

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

[ "Sr", "Sr", "Ga", "P" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.05242038, 0, 0 ], [ 0, 0.05242038, 0 ], [ 0, 0, 0.05242038 ] ]

-13.682576

[ 0, 0, 0, 0 ]

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

0

3.842811

pbe

true

86ff4783bd47c4689d68105b467c23f1_225_Sr2Ga1P1

[ "Na", "Ru", "Se" ]

4

A2BC

NaRu2Se

Na1 Ru2 Se1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.08437886, 3.08437886 ], [ 3.08437886, 0, 3.08437886 ], [ 3.08437886, 3.08437886, 0 ] ]

agm002711172

[ [ 1.54218943, 1.54218943, 1.54218943 ], [ 4.62656829, 4.62656829, 4.62656829 ], [ 3.08437886, 3.08437886, 3.08437886 ], [ 0, 0, 0 ] ]

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

[ "Ru", "Ru", "Se", "Na" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.6655786, 0, 0 ], [ 0, 1.6655786, 0 ], [ 0, 0, 1.6655786 ] ]

-21.150634

[ 0, 0, 0, 0 ]

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

0

3.556002

pbe

true

f0cf288d385f084169b56bc2052ed62d_225_Na1Ru2Se1

[ "Cd", "S", "W" ]

5

A3BC

Cd3SW

Cd3 W1 S1

3

[ 1, 1, 1 ]

3

[ [ 5.41028571, 0, 0 ], [ 0, 5.41028571, 0 ], [ 0, 0, 5.41028571 ] ]

agm002583699

[ [ 2.705142855, 2.705142855, 2.705142855 ], [ 0, 0, 0 ], [ 0, 2.705142855, 0 ], [ 0, 0, 2.705142855 ], [ 2.705142855, 0, 0 ] ]

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

[ "S", "W", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 5.2571096, 0, 0 ], [ 0, 5.2571096, 0 ], [ 0, 0, 5.2571096 ] ]

-12.659203

[ -0.178, 2.204, 0.033, 0.031, 0.022 ]

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

2.825197

5.558406

pbe

true

2586ca17d63e297b2919e172dd4f5d72_221_Cd3W1S1

[ "Ce", "In", "Np" ]

12

A9B2C

CeIn9Np2

Ce1 Np2 In9

3

[ 1, 1, 1 ]

3

[ [ 4.67054118, 0, 0 ], [ 0, 4.67054118, 0 ], [ 0, 0, 14.02490868 ] ]

agm005896779

[ [ 0, 0, 0 ], [ 0, 0, 4.693233310329747 ], [ 0, 0, 9.331675369670252 ], [ 2.33527059, 2.33527059, 0 ], [ 2.33527059, 2.33527059, 4.688650531169471 ], [ 2.33527059, 2.33527059, 9.33625814883053 ], [ 2.33527059, 0, 2.377806719702869 ], [ 2.33527059, 0, 7.01245434 ], [ 2.33527059, 0, 11.64710196029713 ], [ 0, 2.33527059, 2.377806719702869 ], [ 0, 2.33527059, 7.01245434 ], [ 0, 2.33527059, 11.64710196029713 ] ]

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

[ "Ce", "Np", "Np", "In", "In", "In", "In", "In", "In", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.75, 0.16666666666666666 ]

[ [ 1.9984931, 0, 0 ], [ 0, 1.9984931, 0 ], [ 0, 0, 1.7730472 ] ]

-58.112175

[ 0.677, 3.97, 3.97, 0.005, 0.01, 0.01, 0.009, 0.016, 0.009, 0.009, 0.016, 0.009 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00660136 ], [ 0, 0, -0.00660136 ], [ 0, 0, 0 ], [ 0, 0, 0.00521807 ], [ 0, 0, -0.00521807 ], [ 0, 0, 0.01517502 ], [ 0, 0, 0 ], [ 0, 0, -0.01517502 ], [ 0, 0, 0.01517502 ], [ 0, 0, 0 ], [ 0, 0, -0.01517502 ] ]

9.447113

29.83422

pbe

true

cb3b6b72f5f348efe321c074e84ebdc5_123_Ce1Np2In9

[ "Dy", "Gd", "Pr" ]

4

A2BC

DyGdPr2

Pr2 Gd1 Dy1

3

[ 1, 1, 1 ]

3

[ [ 3.65667291, 0, 0 ], [ 0, 3.65667291, 0 ], [ 0, 0, 10.20049154 ] ]

agm001161880

[ [ 0, 0, 7.672022564455858 ], [ 0, 0, 2.5284689755441416 ], [ 1.828336455, 1.828336455, 5.10024577 ], [ 1.828336455, 1.828336455, 0 ] ]

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

[ "Pr", "Pr", "Gd", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.9148472, 0, 0 ], [ 0, 0.9148472, 0 ], [ 0, 0, 1.047322 ] ]

-28.180184

[ -0.022, -0.022, 7.207, -0.096 ]

[ [ 0, 0, -0.00352968 ], [ 0, 0, 0.00352968 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

7.318817

6.537828

pbe

true

004e69691275eb3fda0d0b66f692b9f1_123_Pr2Gd1Dy1

[ "Al", "B", "Hg" ]

6

ABC

AlBHg

Al2 Hg2 B2

3

[ 1, 1, 1 ]

3

[ [ 11.28166102, -0.04302949, 0.28913731 ], [ -0.39709186, 3.04990867, 0.00778244 ], [ 1.67157108, 0.20808299, 3.42453715 ] ]

agm003036456

[ [ 1.3113117856231338, 2.840735626741023, 2.018871578629199 ], [ 1.2024359138336305, 1.2775180368397527, 1.3442743629062397 ], [ 5.443140053136908, 1.8612228622528886, 1.5247932159057045 ], [ 8.346257425990832, 2.262999383262514, 2.1290484148923587 ], [ 3.013878042358791, 1.5098316406083288, 2.5507226295554952 ], [ 10.781521865285812, 2.565124331787293, 1.1015812957272755 ] ]

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

[ "B", "B", "Hg", "Hg", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.5729662, 0.26234806, 0.5920766 ], [ 0.26234785, -1.8234155, -0.0260469 ], [ 0.5920763, -0.02604671, 2.6290104 ] ]

-20.734297

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

[ [ -0.01273246, -0.0015809, 0.00473623 ], [ 0.01252658, 0.00164231, -0.0046476 ], [ -0.00235862, 0.00030994, 0.0047873 ], [ 0.00263829, -0.00178721, -0.00519215 ], [ -0.00808564, -0.00035206, 0.00744127 ], [ 0.00801185, 0.00176792, -0.00712506 ] ]

0

1.52108

pbe

true

d748589a3de7751a7ee724dbd8221d8c_1_Al2Hg2B2

[ "In", "Sn", "Tb" ]

19

A12B6C

In6SnTb12

Tb12 In6 Sn1

3

[ 1, 1, 1 ]

3

[ [ 8.78738926, -0.71249622, -0.85355363 ], [ -2.03645899, 8.57780253, -0.85355327 ], [ -2.03645856, -2.37261707, 8.28721542 ] ]

agm003689741

[ [ 5.622861475913814, 3.7528335137014723, 3.479440847701519 ], [ 1.8685659130839571, 5.975207335532134, 4.314185658554588 ], [ 2.8570113184322876, 2.328613943822855, 6.64995357993309 ], [ -0.9083897659138139, 1.7398557262985268, 3.100667672298482 ], [ 2.845905796916042, -0.48251809553213426, 2.2659228614454126 ], [ 1.8574603915677115, 3.1640752961771446, -0.06984505993308912 ], [ -2.2077462973308926, 6.823878570432694, 1.9697399355701803 ], [ -2.3652342111056783, 3.3495649077352287, 7.357360104070901 ], [ 3.669426124184297, 7.565967278720793, -0.4859183530009759 ], [ 6.922218007330894, -1.3311893304326945, 4.61036858442982 ], [ 7.079705921105678, 2.14312433226477, -0.7772515840709001 ], [ 1.0450455858157017, -2.073278038720793, 7.066026873000976 ], [ 3.4560934860834864, 5.276600636672041, 1.624467404993017 ], [ 4.590578523830377, 1.977178781767135, 1.0981538016340313 ], [ 0.02281654735049717, 4.647759135286923, 2.141588970089061 ], [ 1.2583782239165122, 0.21608860332795923, 4.955641115006984 ], [ 0.12389318616962348, 3.515510458232864, 5.481954718365969 ], [ 4.691655162649503, 0.8449301047130777, 4.438519549910939 ], [ 0, 0, 0 ] ]

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

[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "In", "In", "In", "In", "In", "In", "Sn" ]

2023-11-16 06:57:59

[ 0.3157894736842105, 0.05263157894736842, 0.631578947368421 ]

[ [ 1.577268, 0.02154713, 0.02581305 ], [ 0.02154724, 1.5838777, 0.03007392 ], [ 0.02581296, 0.03007399, 1.5948015 ] ]

-79.39121

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

[ [ 0.00279306, 0.00024547, -0.00111541 ], [ -0.00155156, 0.00258775, 0.0000422 ], [ -0.00018081, -0.00159744, 0.00255364 ], [ -0.00279306, -0.00024547, 0.00111541 ], [ 0.00155156, -0.00258775, -0.0000422 ], [ 0.00018081, 0.00159744, -0.00255364 ], [ 0.00039866, 0.00126724, 0.00268855 ], [ -0.00119216, -0.00254053, -0.00105717 ], [ -0.00233043, -0.00076076, -0.00172727 ], [ -0.00039866, -0.00126724, -0.00268855 ], [ 0.00119216, 0.00254053, 0.00105717 ], [ 0.00233043, 0.00076076, 0.00172727 ], [ 0.00190063, -0.0009217, -0.00024585 ], [ 0.00036444, -0.00186695, 0.0009508 ], [ 0.00119919, 0.00055263, -0.001667 ], [ -0.00190063, 0.0009217, 0.00024585 ], [ -0.00036444, 0.00186695, -0.0009508 ], [ -0.00119919, -0.00055263, 0.001667 ], [ 0, 0, 0 ] ]

-0.000513

23.19193

pbe

true

57657a76be0e48de2f5817449e6867ff_148_Tb12In6Sn1

[ "Ba", "Ni", "Se" ]

6

A3B2C

BaNi2Se3

Ba1 Ni2 Se3

3

[ 1, 1, 1 ]

3

[ [ 6.90547494, 0.02787655, 0 ], [ 1.10128291, 3.76682979, 0 ], [ 0, 0, 19.85009558 ] ]

agm2000057118

[ [ 2.969605971109114, 1.4500799612370754, 9.92504779 ], [ 6.252135207992629, 2.5353156842912448, 11.063347352515029 ], [ 6.252135138937879, 2.535315684012479, 8.786748425985929 ], [ 4.534127910383026, 3.037581884512617, 12.350095457823176 ], [ 4.534127979437774, 3.0375818847913822, 7.49999992367587 ], [ 6.574021349783278, 0.3971280364176016, 9.92504779 ] ]

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

[ "Ba", "Ni", "Ni", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.3333333333333333, 0.5 ]

[ [ -0.61463237, -0.00698501, 0 ], [ -0.00698501, -0.62201047, 0 ], [ 0, 0, -1.236391 ] ]

-25.857802

[ 0.033, 0.959, 0.959, 0.275, 0.275, 0.167 ]

[ [ -0.00530111, 0.00211809, 0 ], [ 0.00403926, -0.0008076, -0.01660292 ], [ 0.00403926, -0.0008076, 0.01660292 ], [ -0.00123162, 0.00016161, 0.0003468 ], [ -0.00123162, 0.00016161, -0.0003468 ], [ -0.00031417, -0.00082611, 0 ] ]

3.273015

4.968611

pbe

true

88ba8a39759ce3f2e658716e9984ddc5_38_Ba1Ni2Se3

[ "Lu", "Ni", "Pd", "Pm" ]

4

ABCD

LuNiPdPm

Pm1 Lu1 Ni1 Pd1

4

[ 1, 1, 1 ]

3

[ [ 4.90278646, 0, 0 ], [ 2.45139323, 4.24593763, 0 ], [ 2.45139323, 1.41531254, 4.00310838 ] ]

agm001358252

[ [ 2.45139323, 1.4153125425000002, 1.000777095 ], [ 4.90278646, 2.8306250850000003, 2.00155419 ], [ 7.35417969, 4.2459376275, 3.0023312849999995 ], [ 0, 0, 0 ] ]

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

[ "Ni", "Lu", "Pd", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

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3.880451

pbe

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990ab7786e9ce6094a44b3ac91dddd55_216_Pm1Lu1Ni1Pd1

[ "Mn", "Pu", "Se", "Tl" ]

12

A3BCD

MnPuSe3Tl

Pu2 Mn2 Tl2 Se6

4

[ 1, 1, 1 ]

3

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agm002346181

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[ "Tl", "Tl", "Mn", "Mn", "Se", "Se", "Se", "Se", "Se", "Se", "Pu", "Pu" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

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19.695028

21.891882

pbe

true

6330cd9034597c6ab0f947ec5292cd85_63_Pu2Mn2Tl2Se6

[ "Li", "S", "Sn" ]

12

ABC

LiSSn

Li4 Sn4 S4

3

[ 1, 1, 1 ]

3

[ [ 11.86678687, 0, 0 ], [ 0, 11.86678687, 0 ], [ 5.93339344, 5.93339344, 2.37517159 ] ]

agm003095346

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[ "S", "S", "S", "S", "Sn", "Sn", "Sn", "Sn", "Li", "Li", "Li", "Li" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-47.1699

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0

0.027795

pbe

true

a75239e29298794ef2cdf0a799761455_139_Li4Sn4S4

[ "Mn", "P", "Zn" ]

4

A2BC

MnPZn2

Mn1 Zn2 P1

3

[ 1, 1, 1 ]

3

[ [ 4.09351103, 2.44703068, -0.38875777 ], [ -4.09351103, 2.44703068, -0.38875777 ], [ 0, 0.43271497, 2.75588832 ] ]

agm004344931

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

[ "Mn", "Zn", "Zn", "P" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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-16.690638

[ 2.94, -0.041, -0.041, 0.014 ]

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2.9857

2.038353

pbe

true

ebfd3243517b12eba8213a5213f06a16_65_Mn1Zn2P1

[ "Ag", "Ge", "Lu", "Te" ]

12

A3BCD

AgGeLuTe3

Ag1 Ge1 Lu1 Te3

4

[ 1, 1, 1 ]

3

[ [ 7.201856, -2.092295, 0 ], [ 7.201856, 2.092295, 0 ], [ 0, 0, 11.019781 ] ]

oqmd-4564158

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

[ "Ag", "Ag", "Ge", "Ge", "Lu", "Lu", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

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-48.6902

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

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-0.003319

null

pbe

true

8b073c544a1a59f72d9e54590187d2ae_63_Lu2Ag2Ge2Te6

[ "Co", "F", "Fe", "Tl" ]

18

A12B3C2D

CoF12Fe3Tl2

Tl2 Fe3 Co1 F12

4

[ 1, 1, 1 ]

3

[ [ 7.33706826, -0.02961134, -0.02100304 ], [ 3.59768025, 6.39454019, -0.02100304 ], [ 3.59768025, 2.09414773, 6.04194759 ] ]

agm004498022

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

[ "Tl", "Tl", "Fe", "Fe", "Fe", "Co", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]

[ [ 2.9363966, -0.19752023, -0.1400992 ], [ -0.19752023, 3.160757, -0.08154933 ], [ -0.1400992, -0.08154933, 3.2178879 ] ]

-88.586417

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13.000009

4.367142

pbe

true

32cd5a50eefb2a3c687144c1173f0c29_166_Tl2Fe3Co1F12

[ "Er", "In", "Te", "Tm" ]

15

A8B3C3D

ErIn3Te8Tm3

Er1 Tm3 In3 Te8

4

[ 1, 1, 1 ]

3

[ [ 8.6926148, 0, 0 ], [ -4.3463074, 7.52822178, -0.0292311 ], [ 0, -4.98999327, 7.90581576 ] ]

agm004699668

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

[ "Er", "Tm", "Tm", "Tm", "In", "In", "In", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.06666666666666667, 0.2, 0.5333333333333333, 0.2 ]

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-66.100746

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0

5.189649

pbe

true

ddb23a59f103687202ed8f0865b24c3b_166_Er1Tm3In3Te8

[ "Ba", "Hg", "Tl" ]

8

A6BC

BaHgTl6

Ba1 Tl6 Hg1

3

[ 1, 1, 1 ]

3

[ [ 5.78901789, 0, 0 ], [ 0, 6.61400204, -2.14069569 ], [ 0, -1.33101116, 7.17546504 ] ]

agm005751285

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

[ "Ba", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Hg" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.75 ]

[ [ 3.78203, 0, 0 ], [ 0, 3.5467026, -0.04259425 ], [ 0, -0.04259425, 3.4288864 ] ]

-17.426848

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

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-0

4.831725

pbe

true

545290260ccc6d2053aabccc23cefe6a_38_Ba1Tl6Hg1

[ "Al", "Co", "Re", "Ti" ]

5

A2BCD

AlCoRe2Ti

Ti1 Al1 Co1 Re2

4

[ 1, 1, 1 ]

3

[ [ 4.59822201, 0, 0 ], [ 0, 4.12547125, 0 ], [ 0, 0, 4.59822201 ] ]

agm001583881

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

[ "Re", "Re", "Co", "Al", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 3.965899, 0, 0 ], [ 0, 6.270137, 0 ], [ 0, 0, 3.965899 ] ]

-36.077703

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0.000009

6.278024

pbe

true

3dce48481916a5dc21194ea7af64ef30_123_Ti1Al1Co1Re2

[ "B", "Cr", "I", "N" ]

5

A2BCD

BCrIN2

Cr1 B1 I1 N2

4

[ 1, 1, 1 ]

3

[ [ 3.4747232, 0, 0 ], [ 0, 3.4747232, 0 ], [ 0, 0, 6.54234766 ] ]

agm001721332

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

[ "I", "Cr", "B", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.2517334, 0, 0 ], [ 0, 0.2517334, 0 ], [ 0, 0, 1.0876713 ] ]

-26.356012

[ 0.045, 3.725, 0.006, 0.007, 0.007 ]

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4.219998

2.468218

pbe

true

f3a26559042da274e86faf3bffbc425b_123_Cr1B1I1N2

[ "Ni", "Pt", "Si", "Sr" ]

10

A4B3C2D

NiPt4Si3Sr2

Sr2 Si3 Ni1 Pt4

4

[ 1, 1, 1 ]

3

[ [ 4.32553637, 0, 0 ], [ 0, 4.32553637, 0 ], [ 0, 0, 9.92256385 ] ]

agm004514425

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[ "Sr", "Sr", "Si", "Si", "Si", "Ni", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.1, 0.4, 0.3, 0.2 ]

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6.772767

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true

702e426c9d3b22d1368d212eb270a0dd_115_Sr2Si3Ni1Pt4

[ "Pb", "Pd", "Sr", "Tl" ]

12

A3BCD

PbPd3SrTl

Sr2 Tl2 Pd6 Pb2

4

[ 1, 1, 1 ]

3

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agm005046424

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[ "Sr", "Sr", "Tl", "Tl", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pb", "Pb" ]

2023-11-16 06:57:59

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6.735814

pbe

true

09b4cba76fb4ad4ffbccaf99caf11b02_63_Sr2Tl2Pd6Pb2

[ "F", "Hg", "Pd" ]

18

A6B2C

F6Hg2Pd

Hg4 Pd2 F12

3

[ 1, 1, 1 ]

3

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agm003485599

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[ "Hg", "Hg", "Hg", "Hg", "Pd", "Pd", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

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3.992449

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true

d4464e5dd83067ad48b54ced53d3c612_136_Hg4Pd2F12

[ "Ge", "Pa", "Se" ]

18

A6B2C

GePa2Se6

Pa4 Ge2 Se12

3

[ 1, 1, 1 ]

3

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agm005588653

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[ "Pa", "Pa", "Pa", "Pa", "Ge", "Ge", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

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0

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pbe

true

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[ "La", "N", "Tc" ]

10

A3BC

LaN3Tc

La2 Tc2 N6

3

[ 1, 1, 1 ]

3

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agm003104982

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[ "N", "N", "N", "N", "N", "N", "Tc", "Tc", "La", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

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0.000002

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