LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Al", "Nd", "Te" ]

24

A3B2C

AlNd3Te2

Nd12 Al4 Te8

3

[ 1, 1, 1 ]

3

[ [ 7.65239129, 0.07313427, -1.42709505 ], [ -2.89264643, 7.08498644, -1.42709613 ], [ -0.06817093, -0.10252259, 14.00109024 ] ]

agm005833903

[ [ -0.7380509361158974, 4.71253508778876, 10.423181199523036 ], [ 4.576621402880938, 1.0602524568361291, 10.455897516241992 ], [ 0.3794046484694673, 0.46571150969767944, 9.151356873380834 ], [ 2.7171264921190623, 4.191121325663871, 7.6915469337580085 ], [ -1.433708205318867, 3.5614641842522, 6.258993015527871 ], [ 0.8527632753188666, 7.000060020747799, 4.887905504472129 ], [ 1.877741322309493, 2.9287808778611994, 3.4553521163375605 ], [ 4.408875397101976, 6.525582526777249, 1.995542196523597 ], [ 5.484177502690507, 2.4251154946388, 0.6910020936624399 ], [ 0.060389345506732806, 5.913300212588481, 0.7237173105714529 ], [ 1.075064810318867, 1.6167753282477995, 13.31554648447213 ], [ 3.616509119681133, 5.438822791752201, -2.168647424472129 ], [ 4.306119505400259, 6.475918233210916, 9.050318403192128 ], [ 0.09497719985487983, 5.860434831168374, 7.670032770999051 ], [ -0.6759221298548799, 4.701089373831627, 3.476865749000949 ], [ 0.38545442459974, 0.5796798867890831, 2.096580656807871 ], [ 6.127411683783978, 3.4973359514999833, 11.803413608575735 ], [ 1.9337714764864102, 2.908173726965885, 10.518312583238147 ], [ 5.35997641851359, 2.3432000555341146, 7.629131866761852 ], [ 1.1663362112160205, 1.7540378310000162, 6.344030841424265 ], [ 3.5252377187839787, 5.301560288999982, 4.8028682185757345 ], [ 4.60411637148641, 1.2064719794658847, 3.517767733238148 ], [ 2.7578024535135897, 4.147424393034115, 0.6285864767618521 ], [ 3.836681106216021, 0.05233608350001641, -0.6565140085757346 ] ]

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

[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Al", "Al", "Al", "Al", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 0.2793698, -0.0380322, 0.01832625 ], [ -0.0380322, 0.24746288, 0.02756054 ], [ 0.01832625, 0.02756054, 0.31086573 ] ]

-122.378264

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

[ [ 0.00139774, 0.0018338, 0.00007807 ], [ -0.00111886, -0.0014144, 0.00143882 ], [ -0.00139774, -0.0018338, -0.00007807 ], [ 0.00111886, 0.0014144, -0.00143882 ], [ 0.00136863, 0.00205827, -0.0008207 ], [ -0.00136863, -0.00205827, 0.0008207 ], [ -0.0008715, -0.00157888, 0.00143882 ], [ 0.00115038, 0.00199828, 0.00007807 ], [ 0.0008715, 0.00157888, -0.00143882 ], [ -0.00115038, -0.00199828, -0.00007807 ], [ -0.00136863, -0.00205827, 0.0008207 ], [ 0.00136863, 0.00205827, -0.0008207 ], [ -0.00024357, -0.0003663, -0.00132483 ], [ 0.00024357, 0.0003663, 0.00132483 ], [ -0.00024357, -0.0003663, -0.00132483 ], [ 0.00024357, 0.0003663, 0.00132483 ], [ -0.00013786, -0.00020733, -0.00074986 ], [ -0.00046413, -0.000698, -0.00252454 ], [ 0.00046413, 0.000698, 0.00252454 ], [ 0.00013786, 0.00020733, 0.00074986 ], [ -0.00013786, -0.00020733, -0.00074986 ], [ -0.00046413, -0.000698, -0.00252454 ], [ 0.00046413, 0.000698, 0.00252454 ], [ 0.00013786, 0.00020733, 0.00074986 ] ]

-0.000035

10.68426

pbe

true

0d3a69980d4f63ecd833fe2509670261_70_Nd12Al4Te8

[ "Al", "Sc", "Se" ]

4

A2BC

AlSc2Se

Sc2 Al1 Se1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.43835512, 3.43835512 ], [ 3.43835512, 0, 3.43835512 ], [ 3.43835512, 3.43835512, 0 ] ]

agm002633410

[ [ 1.71917756, 1.71917756, 1.71917756 ], [ 5.15753268, 5.15753268, 5.15753268 ], [ 0, 0, 0 ], [ 3.43835512, 3.43835512, 3.43835512 ] ]

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

[ "Sc", "Sc", "Al", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.9021027, 0, 0 ], [ 0, 2.9021027, 0 ], [ 0, 0, 2.9021027 ] ]

-21.921146

[ 0, 0, 0, 0 ]

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

0

4.806645

pbe

true

aa96235187d52d8311e661190709bd70_225_Sc2Al1Se1

[ "Al", "Si", "Sm" ]

4

A2BC

AlSiSm2

Sm2 Al1 Si1

3

[ 1, 1, 1 ]

3

[ [ 4.13488921, 0, 0 ], [ 0, 4.79068429, 0 ], [ 0, 0, 4.79068429 ] ]

agm001247148

[ [ 2.067444605, 2.395342145, 2.395342145 ], [ 2.067444605, 0, 0 ], [ 0, 0, 2.395342145 ], [ 0, 2.395342145, 0 ] ]

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

[ "Si", "Al", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.16790076, 0, 0 ], [ 0, 0.37049598, 0 ], [ 0, 0, 0.37049598 ] ]

-20.210585

[ 0, 0, 0, 0 ]

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

-0.000005

2.534339

pbe

true

d6f2d4087f52c3fc470a4d50ba251ae3_123_Sm2Al1Si1

[ "As", "In", "Ru" ]

4

A2BC

AsIn2Ru

In2 As1 Ru1

3

[ 1, 1, 1 ]

3

[ [ 6.61650313, -0.00148926, 0.01080023 ], [ 5.91386828, 2.96720036, 0.01080023 ], [ 1.58680737, 0.37556845, 4.29640571 ] ]

agm003798523

[ [ 6.90416110492256, 1.6340894074893955, 2.2187273913641756 ], [ 11.369316320044724, 2.690910465792786, 2.932481066267843 ], [ 12.523331062690815, 2.964044777788402, 0.024158600420791997 ], [ 2.909331217645614, 0.6885858035865275, 1.3232426571631946 ] ]

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

[ "Ru", "As", "In", "In" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.9319687, 0.10157004, -0.22122686 ], [ 0.10157004, 4.5268664, -0.05236038 ], [ -0.22122718, -0.05236045, 4.477125 ] ]

-19.50524

[ 0, 0, 0, 0 ]

[ [ 0.00741378, 0.00175471, 0.00059661 ], [ -0.00014295, -0.00003383, 0.00154986 ], [ 0.00083147, 0.00019679, -0.00217613 ], [ -0.00810231, -0.00191767, 0.00002966 ] ]

-0.000007

2.136874

pbe

true

8061ddf83e94dd0f9d3438c035fb9615_44_In2As1Ru1

[ "Be", "Ge", "N" ]

4

A2BC

BeGe2N

Be1 Ge2 N1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.96798868, 2.96798868 ], [ 2.96798868, 0, 2.96798868 ], [ 2.96798868, 2.96798868, 0 ] ]

agm002643658

[ [ 0, 0, 0 ], [ 1.48399434, 1.48399434, 1.48399434 ], [ 4.45198302, 4.45198302, 4.45198302 ], [ 2.96798868, 2.96798868, 2.96798868 ] ]

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

[ "Be", "Ge", "Ge", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -0.27047458, 0, 0 ], [ 0, -0.27047458, 0 ], [ 0, 0, -0.27047458 ] ]

-16.471713

[ 0.038, 0.01, 0.01, 0.32 ]

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

0.539402

2.009857

pbe

true

ab713899e19e996f7bde02ebd94cc882_225_Be1Ge2N1

[ "Cd", "Cl", "Ta" ]

8

A6BC

CdCl6Ta

Ta1 Cd1 Cl6

3

[ 1, 1, 1 ]

3

[ [ 6.72544792, 0, 0 ], [ -3.36272402, 5.8244087, 0 ], [ 0, 0, 17.78345656 ] ]

agm2000143361

[ [ -7.362723980091715e-8, 3.8829391527480293, 8.89172828 ], [ 0, 0, 8.89172828 ], [ -1.0591503964957634, 5.547186474137319, 10.283456433183199 ], [ 1.9708556502517007, 3.968066497031923, 10.283456433183199 ], [ -0.9117053737559361, 2.133564312342584, 10.283456433183199 ], [ 0.9117053297982173, 2.133564312342584, 7.4999999489822375 ], [ -1.9708557320055753, 3.968066497031923, 7.500000126816803 ], [ 1.0591502822073593, 5.547186474137319, 7.4999999489822375 ] ]

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

[ "Ta", "Cd", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.125, 0.75, 0.125 ]

[ [ 0.24225368, 0, 0 ], [ 0, 0.24225368, 0 ], [ 0, 0, -0.23379342 ] ]

-33.241063

[ 0.655, 0.091, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00271716, -0.00308877, -0.00193001 ], [ -0.00131638, 0.00389751, -0.00193001 ], [ 0.00403353, -0.00080874, -0.00193001 ], [ -0.00403353, -0.00080874, 0.00193001 ], [ 0.00131638, 0.00389751, 0.00193001 ], [ 0.00271716, -0.00308877, 0.00193001 ] ]

1.058937

0.924406

pbe

true

fda6d9aa2064a3e0741f5d109a81f84d_149_Ta1Cd1Cl6

[ "Cd", "K", "N" ]

4

A2BC

CdKN2

K1 Cd1 N2

3

[ 1, 1, 1 ]

3

[ [ 2.15457041, 0, 6.98715561 ], [ -1.07728521, 1.86591271, 6.98715561 ], [ -1.07728521, -1.86591271, 6.98715561 ] ]

agm002771820

[ [ 0, 0, 0 ], [ -8.791230649581553e-9, -9.707017612651328e-17, 18.427708442448765 ], [ -1.2087696483211251e-9, 1.0081779362936772e-17, 2.533758387551237 ], [ -5.00000019165725e-9, 0, 10.480733415 ] ]

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

[ "K", "N", "N", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.7025634, 0, 0 ], [ 0, 0.7025634, 0 ], [ 0, 0, 0.30961463 ] ]

-13.156715

[ 0.031, 1.014, 1.014, 0.079 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00150912 ], [ 0, 0, -0.00150912 ], [ 0, 0, 0 ] ]

3.000102

0.761832

pbe

true

3d45afac34dc997361f9e1a8715bb5a2_166_K1Cd1N2

[ "Ce", "Pm", "Pu" ]

4

A2BC

Ce2PmPu

Ce2 Pm1 Pu1

3

[ 1, 1, 1 ]

3

[ [ 3.64884166, 0, 0 ], [ 1.82442083, 3.15998957, 0 ], [ 1.82442083, 1.05332986, 9.43446667 ] ]

agm005129272

[ [ 1.8244208482442081, 1.053329869400756, 6.228985857694124 ], [ 1.8244208482442086, 1.0533298683098171, 3.1412575673431853 ], [ 3.6488398538233784, 2.10665867057696, 0.11373655252751812 ], [ 3.6488416417557916, 2.1066597044492044, 4.667710498623837 ] ]

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

[ "Ce", "Ce", "Pm", "Pu" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.6389763, 0, 0 ], [ 0, 2.6389763, 0 ], [ 0, 0, 2.565941 ] ]

-29.583151

[ -0.001, -0.002, 0, 0.018 ]

[ [ 0, 0, -0.00921113 ], [ 0, 0, 0.00510614 ], [ 0, 0, 0.00479524 ], [ 0, 0, -0.00069024 ] ]

0.014631

7.441032

pbe

true

9ada6773964b684af1352f2af24f1d22_160_Ce2Pm1Pu1

[ "Cl", "La", "Tc" ]

4

A2BC

ClLa2Tc

La2 Tc1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 5.08225972, 0, 0 ], [ 2.54112986, 4.40136603, 0 ], [ 2.54112986, 1.46712201, 4.14964769 ] ]

agm004042078

[ [ 5.08225972, 2.93424402, 2.074823845 ], [ 0, 0, 0 ], [ 2.54112986, 1.46712201, 1.0374119225 ], [ 7.6233895799999996, 4.40136603, 3.1122357675 ] ]

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

[ "Cl", "La", "La", "Tc" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.057608, 0, 0 ], [ 0, 1.057608, 0 ], [ 0, 0, 1.057608 ] ]

-21.211544

[ -0.001, 0.004, 0.005, -0.018 ]

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

-0.004903

3.011524

pbe

true

837abd0290497966c67a5aa30b23d178_216_La2Tc1Cl1

[ "Cl", "Li", "Rh" ]

4

A2BC

ClLiRh2

Li1 Rh2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 6.65049327, 0, 0 ], [ 0, 3.46422044, 0 ], [ 0, 0, 3.46422044 ] ]

agm004037473

[ [ 3.325246635, 1.73211022, 0 ], [ 3.325246635, 0, 1.73211022 ], [ 0, 0, 0 ], [ 0, 1.73211022, 1.73211022 ] ]

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

[ "Cl", "Li", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 6.0228853, 0, 0 ], [ 0, 5.9863877, 0 ], [ 0, 0, 5.9863877 ] ]

-18.207158

[ 0, 0, 0.001, 0.001 ]

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

0.00159

5.296144

pbe

true

c0f124b90f061cc1b09bbb0ab624e2de_123_Li1Rh2Cl1

[ "Cl", "P", "Tl" ]

4

A2BC

Cl2PTl

Tl1 P1 Cl2

3

[ 1, 1, 1 ]

3

[ [ 9.16867367, 0.78603458, -0.30069056 ], [ 7.94715934, 4.63951351, -0.30069056 ], [ 0.73459726, 0.23285999, 3.34356673 ] ]

agm004422823

[ [ 0.8310587688753269, 0.2634373269549437, 1.109611311806581 ], [ 12.557443830986571, 3.980584252840755, 1.828070448796042 ], [ 8.432614968756113, 2.67305470834917, 1.039521384522248 ], [ 4.95452783638199, 1.570535831855131, 0.13607526987512944 ] ]

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

[ "Cl", "Cl", "P", "Tl" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.2297803, 0.11886513, -0.0153951 ], [ 0.11886513, 0.8924787, -0.00488009 ], [ -0.01539518, -0.00488012, 1.075248 ] ]

-11.988153

[ 0, 0, 0, 0 ]

[ [ -0.00657281, -0.00208352, 0.00047144 ], [ 0.00264813, 0.00083943, -0.00235514 ], [ 0.00682964, 0.00216493, 0.00114996 ], [ -0.00290496, -0.00092084, 0.00073375 ] ]

0.000002

2.132441

pbe

true

e91afe485ee29feb2a5696b88582f221_8_Tl1P1Cl2

[ "Cl", "Se", "U" ]

5

A2B2C

ClSe2U2

U2 Se2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.87347249, 0, 0 ], [ 0, 5.68208788, 0 ], [ -1.93673625, -2.84104394, 6.10330894 ] ]

agm003398098

[ [ 1.9367362626445874, 2.841043939273417e-8, 2.1029255507886107 ], [ -2.2644587448624657e-8, 2.841043911589561, 4.00038338921139 ], [ 1.5919847903725326e-8, 2.8410439562095006e-8, 4.208249518891373 ], [ 1.9367362240801524, 2.8410439115895607, 1.895059421108627 ], [ 0, 0, 0 ] ]

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

[ "U", "U", "Se", "Se", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 0.46502593, 0, 0 ], [ 0, 0.79245174, 0 ], [ 0, 0, 0.7140198 ] ]

-36.700618

[ 2.7, 2.7, -0.071, -0.071, -0.041 ]

[ [ 0, 0, 0.00445194 ], [ 0, 0, -0.00445194 ], [ 0, 0, -0.00378207 ], [ 0, 0, 0.00378207 ], [ 0, 0, 0 ] ]

6.053973

10.757602

pbe

true

355767ab5242ea13366d1353cd34deae_71_U2Se2Cl1

[ "Cl", "Rh" ]

16

AB

ClRh

Rh8 Cl8

2

[ 1, 1, 1 ]

3

[ [ 7.61776857, 0, 0 ], [ 0, 7.61776857, 0 ], [ 0, 0, 7.61776857 ] ]

agm004447341

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

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

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 3.9789255, 0, 0 ], [ 0, 3.9789255, 0 ], [ 0, 0, 3.9789255 ] ]

-68.176121

[ 0.587, 0.587, 0.587, 0.587, 0.587, 0.587, 0.587, 0.587, 0.055, 0.055, 0.055, 0.055, 0.055, 0.055, 0.055, 0.055 ]

[ [ -0.0029516, -0.0029516, -0.0029516 ], [ -0.0029516, 0.0029516, 0.0029516 ], [ 0.0029516, -0.0029516, 0.0029516 ], [ 0.0029516, 0.0029516, -0.0029516 ], [ -0.0029516, -0.0029516, -0.0029516 ], [ -0.0029516, 0.0029516, 0.0029516 ], [ 0.0029516, -0.0029516, 0.0029516 ], [ 0.0029516, 0.0029516, -0.0029516 ], [ -0.00719165, -0.00719165, -0.00719165 ], [ -0.00719165, 0.00719165, 0.00719165 ], [ 0.00719165, -0.00719165, 0.00719165 ], [ 0.00719165, 0.00719165, -0.00719165 ], [ -0.00719165, -0.00719165, -0.00719165 ], [ -0.00719165, 0.00719165, 0.00719165 ], [ 0.00719165, -0.00719165, 0.00719165 ], [ 0.00719165, 0.00719165, -0.00719165 ] ]

5.564502

21.399683

pbe

true

376d22cf62105e6529d623dacd95ed9c_217_Rh8Cl8

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

14

A4B2C

Ge2Pr4Sb

Pr8 Ge4 Sb2

3

[ 1, 1, 1 ]

3

[ [ 8.03607529, -1.13404599, -0.16296232 ], [ -1.70952133, 7.93361422, 0.16224795 ], [ -3.0443655, -3.50982294, 6.65583735 ] ]

agm003457587

[ [ -1.6016358680685068, 0.6749505432542463, 2.63885120901312 ], [ 1.483593601996926, 2.6073876926075052, 1.6496380037514695 ], [ 4.070439416513162, 1.7406864598899754, 4.016491313662572 ], [ 3.4664954275005315, -2.4085524013456197, 4.860588008754363 ], [ 0.6299071131007928, 6.573495532776207, 1.7943612457459832 ], [ -0.5506158319195402, -1.8425165846993303, 5.005750953251931 ], [ 0.0854409248058995, 2.2765814898233208, 5.964889648254098 ], [ 5.546209469567661, 3.538247600041292, 0.6900573589490848 ], [ 1.454366923332534, 0.2329996622773322, 4.1130844672009275 ], [ 3.4094163165033913, 4.756698007449399, 2.541743633012647 ], [ 4.2333982729216215, 0.8182840018748988, 0.7431257601625488 ], [ -2.532902019407459, 0.7712812392730758, 5.912001184883819 ], [ -0.7953740562345006, 3.9116485437130497, 3.408949828755393 ], [ 6.325623543242539, 6.798638474377557, -0.000671278958086789 ] ]

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

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

2023-11-16 06:57:59

[ 0.2857142857142857, 0.5714285714285714, 0.14285714285714285 ]

[ [ 0.8494992, -0.0408866, 0.02269718 ], [ -0.04088649, 0.8425988, -0.01495465 ], [ 0.02269718, -0.01495462, 0.99902683 ] ]

-77.332721

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

[ [ -0.00266572, -0.0007255, 0.00195047 ], [ -0.00091297, 0.00077304, 0.00224236 ], [ -0.00050604, -0.00291633, -0.00217394 ], [ 0.00011354, -0.00047687, 0.00147378 ], [ -0.00033576, -0.00030701, -0.00122008 ], [ 0.00055187, -0.00072643, -0.00225412 ], [ 0.00030209, -0.00225846, 0.0022023 ], [ -0.00215935, 0.00002641, -0.00211324 ], [ 0.00193512, 0.0008952, 0.00178561 ], [ 0.00108871, 0.00196147, -0.00143064 ], [ -0.00064255, -0.00048843, 0.00226779 ], [ -0.00074146, -0.00036157, -0.00196721 ], [ 0.00087244, 0.00125965, -0.00057094 ], [ 0.00310006, 0.00334481, -0.00019215 ] ]

0.000141

11.159654

pbe

true

ad2bc35f3e297cbb911a7a2f1c9df4e4_122_Pr8Ge4Sb2

[ "H", "O", "Ta" ]

4

A2BC

HO2Ta

Ta1 H1 O2

3

[ 1, 1, 1 ]

3

[ [ 0, 2.51983744, 2.51983744 ], [ 2.51983744, 0, 2.51983744 ], [ 2.51983744, 2.51983744, 0 ] ]

agm002681290

[ [ 0, 0, 0 ], [ 1.25991872, 1.25991872, 1.25991872 ], [ 3.77975616, 3.77975616, 3.77975616 ], [ 2.51983744, 2.51983744, 2.51983744 ] ]

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

[ "H", "O", "O", "Ta" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.1110468, 0, 0 ], [ 0, 2.1110468, 0 ], [ 0, 0, 2.1110468 ] ]

-30.210768

[ 0, 0, 0, 0 ]

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

0

0.219225

pbe

true

4a535a18454e209acf548f2803b58dcc_225_Ta1H1O2

[ "Bi", "Ca", "Tb" ]

10

A5B4C

Bi5CaTb4

Ca1 Tb4 Bi5

3

[ 1, 1, 1 ]

3

[ [ 4.41890672, 0, -0.85252312 ], [ -0.32908062, 6.14486647, -1.70573456 ], [ 0.02329915, 0.01412279, 11.99935668 ] ]

agm006107825

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

[ "Ca", "Tb", "Tb", "Tb", "Tb", "Bi", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.1, 0.4 ]

[ [ 0.35749954, -0.00830355, -0.01716789 ], [ -0.00830355, 0.41117173, -0.04304008 ], [ -0.01716789, -0.04304008, 0.27182505 ] ]

-48.255076

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

[ [ 0, 0, 0 ], [ 0.00026612, 0.00039715, 0.00137938 ], [ -0.00029152, -0.00043505, -0.00151103 ], [ 0.00029152, 0.00043505, 0.00151103 ], [ -0.00026612, -0.00039715, -0.00137938 ], [ -0.00099953, -0.00149168, -0.0051809 ], [ 0.00055785, 0.00083252, 0.00289152 ], [ -0.00055785, -0.00083252, -0.00289152 ], [ 0, 0, 0 ], [ 0.00099953, 0.00149168, 0.0051809 ] ]

-0.000007

3.414565

pbe

true

25bf989615ee4186c642a5b11efa3f64_71_Ca1Tb4Bi5

[ "Br", "Hf", "Pu" ]

8

A6BC

Br6HfPu

Pu1 Hf1 Br6

3

[ 1, 1, 1 ]

3

[ [ 7.08191779, 0, 0 ], [ -3.54095884, 6.13312097, 0 ], [ 0, 0, 18.14861442 ] ]

agm2000142656

[ [ 0, 0, 9.074307391486146 ], [ 3.666666658073641e-8, 4.08874727244586, 9.07430757297229 ], [ -1.0628084902593224, 5.942897439281094, 10.64861439393337 ], [ 2.1371454589979284, 4.082091425575587, 10.64861439393337 ], [ -1.0743367879194288, 2.2412529524809, 10.64861439393337 ], [ 1.0743369343459728, 2.24125301381211, 7.499999844580485 ], [ -2.1371452795552055, 4.082091241581958, 7.499999844580485 ], [ 1.0628084552092316, 5.942897561943513, 7.499999844580485 ] ]

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

[ "Pu", "Hf", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.75, 0.125, 0.125 ]

[ [ 0.3938542, 0, 0 ], [ 0, 0.39385423, 0 ], [ 0, 0, -0.09403375 ] ]

-45.843488

[ 5.508, 0.287, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00096111, -0.00394741, -0.00168812 ], [ -0.00389911, 0.00114137, -0.00168812 ], [ 0.00293801, 0.00280605, -0.00168812 ], [ -0.00293801, 0.00280605, 0.00168812 ], [ 0.00389911, 0.00114137, 0.00168812 ], [ -0.00096111, -0.00394741, 0.00168812 ] ]

6.000248

13.55114

pbe

true

2db2e379344692fe8d0d902dba9ec3a5_149_Pu1Hf1Br6

[ "Cd", "Ce", "Y" ]

6

A4BC

Cd4CeY

Ce1 Y1 Cd4

3

[ 1, 1, 1 ]

3

[ [ 5.94500059, 0, 0 ], [ 2.97250029, 5.14852153, 0 ], [ 2.97250029, 1.71617384, 4.85407265 ] ]

agm001187133

[ [ 0, 0, 0 ], [ 2.9725002925000004, 1.7161738425, 1.2135181625 ], [ 5.945003588476274, 3.432345987238869, 0.6053408668438496 ], [ 5.945003588476274, 1.7148361695474903, 3.034266542541409 ], [ 7.4324107197641505, 4.2911008935826125, 3.034266542541409 ], [ 4.457596452184505, 4.2911008935826125, 3.034266542541409 ] ]

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

[ "Y", "Ce", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 6.9773073, 0, 0 ], [ 0, 6.9773073, 0 ], [ 0, 0, 6.9773073 ] ]

-17.44182

[ 0.073, 0.785, -0.001, -0.001, -0.001, -0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00305087 ], [ 0, 0.00287639, -0.00101696 ], [ -0.00249103, -0.0014382, -0.00101696 ], [ 0.00249103, -0.0014382, -0.00101696 ] ]

1.025449

9.412208

pbe

true

1cf7265db4cb24e73f42a0ec5ef3fb4e_216_Ce1Y1Cd4

[ "Cl", "F", "S" ]

8

A2BC

ClF2S

S2 Cl2 F4

3

[ 1, 1, 1 ]

3

[ [ 4.76556435, 0, 0 ], [ 0, 4.76556435, 0 ], [ 2.38278218, 2.38278218, 6.27585122 ] ]

agm002824844

[ [ 2.382782175, 2.382782175, 0 ], [ 2.3827821775, 4.7655643525, 3.13792561 ], [ 2.3884141678544735, 1.19139108875, 1.568962805 ], [ 2.3771501846455263, 3.5741732637499997, 1.568962805 ], [ 3.57417326625, 4.759932362145527, 4.706888415 ], [ 5.95695544125, 4.771196345354473, 4.706888415 ], [ 0, 0, 0 ], [ 4.7655643525, 2.3827821775, 3.13792561 ] ]

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

[ "S", "S", "F", "F", "F", "F", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 8.045631, 0, 0 ], [ 0, 8.045631, 0 ], [ 0, 0, 1.8755034 ] ]

-19.319594

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00094969, 0, 0 ], [ 0.00094969, 0, 0 ], [ 0, 0.00094969, 0 ], [ 0, -0.00094969, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000348

14.957202

pbe

true

4b6a1c96b0448c071ceee982e3e442d4_122_S2Cl2F4

[ "Li", "Re", "Si" ]

4

A2BC

Li2ReSi

Li2 Re1 Si1

3

[ 1, 1, 1 ]

3

[ [ 4.45455209, -0.0014532, -0.01121235 ], [ 3.71703507, 2.45493111, -0.01121235 ], [ 0.48777523, 0.14645206, 5.08927147 ] ]

agm004387576

[ [ 8.570941964991743, 2.573382182447623, 4.985731286220516 ], [ 6.510817307278322, 1.9548401238281834, 3.889677866865617 ], [ 4.368410111574831, 1.3115931471696027, 2.3856371832958065 ], [ 2.198236514316984, 0.6600094484843321, 1.4060706397350224 ] ]

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

[ "Li", "Li", "Re", "Si" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.2658546, -0.17084688, -0.05580706 ], [ -0.17084688, 2.7835836, -0.01675579 ], [ -0.055807, -0.01675577, 2.3523192 ] ]

-21.511755

[ 0, 0, 0, 0 ]

[ [ 0.00395759, 0.00118825, 0.00452963 ], [ -0.00100497, -0.00030174, -0.00849925 ], [ 0.00072251, 0.00021693, 0.0008088 ], [ -0.00367513, -0.00110344, 0.00316082 ] ]

0.000029

1.799356

pbe

true

9813478378692d67492d0f441e338c46_8_Li2Re1Si1

[ "Na", "Pt", "Sn" ]

10

A2B2C

NaPt2Sn2

Na2 Sn4 Pt4

3

[ 1, 1, 1 ]

3

[ [ 7.88003453, 0, 0 ], [ 0, 7.88003453, 0 ], [ 0, 0, 3.30432232 ] ]

agm003002392

[ [ 0, 0, 0 ], [ 3.940017265, 3.940017265, 0 ], [ 1.2591958701465569, 5.1992131351465565, 1.65216116 ], [ 5.1992131351465565, 6.620838659853443, 1.65216116 ], [ 6.620838659853443, 2.6808213948534427, 1.65216116 ], [ 2.6808213948534427, 1.2591958701465569, 1.65216116 ], [ 2.879312687834447, 6.8193299528344475, 0 ], [ 6.8193299528344475, 5.000721842165552, 0 ], [ 5.000721842165552, 1.0607045771655526, 0 ], [ 1.0607045771655526, 2.879312687834447, 0 ] ]

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

[ "Na", "Na", "Sn", "Sn", "Sn", "Sn", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 3.9864275, 0, 0 ], [ 0, 3.9864275, 0 ], [ 0, 0, 0.41703844 ] ]

-46.717821

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01053785, 0.01053785, 0 ], [ 0.01053785, -0.01053785, 0 ], [ -0.01053785, -0.01053785, 0 ], [ -0.01053785, 0.01053785, 0 ], [ -0.00592133, -0.00592133, 0 ], [ -0.00592133, 0.00592133, 0 ], [ 0.00592133, 0.00592133, 0 ], [ 0.00592133, -0.00592133, 0 ] ]

0

4.866215

pbe

true

dd911dcfe4185dad931cf2a7fbb27f49_127_Na2Sn4Pt4

[ "Gd", "Nd" ]

7

A6B

GdNd6

Nd6 Gd1

2

[ 1, 1, 1 ]

3

[ [ 7.14266643, 0, 0 ], [ -2.38088881, 6.73417049, 0 ], [ -2.38088881, -3.36708524, 5.83196272 ] ]

agm005406552

[ [ -1.190444405, 3.3670852475000004, 2.91598136 ], [ 1.190444405, 4.2088565575, 1.45799068 ], [ -1.190444405, 0.841771315, 4.37397204 ], [ 3.571333215, 2.4999999848063226e-9, 2.91598136 ], [ 1.190444405, -0.8417713075000001, 4.37397204 ], [ 3.5713332150000006, 2.5253139350000002, 1.45799068 ], [ 0, 0, 0 ] ]

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

[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Gd" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.8571428571428571 ]

[ [ 0.5158162, 0, 0 ], [ 0, 0.5158162, 0 ], [ 0, 0, 0.5158162 ] ]

-34.366717

[ 0.049, 0.049, 0.049, 0.049, 0.049, 0.049, -6.89 ]

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

-6.670105

9.115998

pbe

true

02beb52226847f51642012d6c97a21ac_229_Nd6Gd1

[ "Ag", "Ge", "Sm" ]

12

ABC

AgGeSm

Sm4 Ag4 Ge4

3

[ 1, 1, 1 ]

3

[ [ 4.34895094, 0, 0 ], [ 0, 8.2832042, 0 ], [ 0, 0, 7.30947613 ] ]

agm003599030

[ [ 1.087237735, 6.715438910616362, 3.4816571990020138 ], [ 3.261713205, 2.573836810616362, 0.1730808659979861 ], [ 1.087237735, 5.7093673893836385, 7.136395264002014 ], [ 3.261713205, 1.567765289383638, 3.827818930997986 ], [ 3.261713205, 7.784496993402432, 1.0751488704031449 ], [ 3.261713205, 4.640309306597568, 4.729886935403146 ], [ 1.087237735, 0.498707206597568, 6.234327259596855 ], [ 1.087237735, 3.642894893402432, 2.5795891945968554 ], [ 3.261713205, 5.124168952498678, 1.86099656981511 ], [ 3.261713205, 7.300637347501322, 5.51573463481511 ], [ 1.087237735, 0.982566852498678, 1.79374149518489 ], [ 1.087237735, 3.159035247501322, 5.44847956018489 ] ]

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

[ "Sm", "Sm", "Sm", "Sm", "Ag", "Ag", "Ag", "Ag", "Ge", "Ge", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.6122942, 0, 0 ], [ 0, 3.8260338, 0 ], [ 0, 0, 3.78664 ] ]

-56.192987

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

[ [ 0, 0.00253996, 0.00283547 ], [ 0, 0.00253996, -0.00283547 ], [ 0, -0.00253996, 0.00283547 ], [ 0, -0.00253996, -0.00283547 ], [ 0, -0.0005646, -0.00117694 ], [ 0, 0.0005646, -0.00117694 ], [ 0, 0.0005646, 0.00117694 ], [ 0, -0.0005646, 0.00117694 ], [ 0, 0.00540738, -0.00089521 ], [ 0, -0.00540738, -0.00089521 ], [ 0, 0.00540738, 0.00089521 ], [ 0, -0.00540738, 0.00089521 ] ]

0

2.503519

pbe

true

5735fa45c2c0c84c6e70396e60925f79_62_Sm4Ag4Ge4

[ "Ni", "Pm", "Zn" ]

18

A6B2C

Ni2Pm6Zn

Pm12 Zn2 Ni4

3

[ 1, 1, 1 ]

3

[ [ 8.54511283, -0.06034077, -0.00302989 ], [ -3.29343559, 7.88516812, 0.00302989 ], [ -2.82056602, -3.78172128, 7.12499789 ] ]

agm003502545

[ [ -0.09801608495811248, 2.4841342732809677, 5.85312707473376 ], [ 2.529130598393704, 1.5589639115509124, 1.2718708122363502 ], [ -2.336071435459628, -0.8504826398021799, 5.85311995276576 ], [ 4.767179362024039, 4.893596594970299, 1.27187794026413 ], [ 2.769843858183926, 3.8157637409558567, 4.082282211062917 ], [ -0.33873263818392474, 0.22734232904414262, 3.0427156789370837 ], [ -3.577888626830848, 2.4013202331618833, 6.819095755949958 ], [ 6.008999846830848, 1.6417858368381166, 0.30590213405004324 ], [ 2.801224737205785, 0.28685151102941897, 4.801132529189661 ], [ -0.3701135172057837, 3.756254558970581, 2.323865360810339 ], [ -2.497565940493468, 5.18410625635266, 4.80416241921996 ], [ 4.92867716049347, -1.14100018635266, 2.32083547078004 ], [ -3.057000805, 2.05172342, 3.56401389 ], [ 0, 0, 0 ], [ 0.5423292505891233, -0.3639873543173903, 6.2656981030584955 ], [ 1.8887819694108776, 4.407093424317391, 0.859299786941505 ], [ 3.7269437604270053, -2.501359436769264, 4.63672934828544 ], [ -1.2958325404270046, 6.5444655067692645, 2.48826854171456 ] ]

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

[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Zn", "Zn", "Ni", "Ni", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.6666666666666666, 0.1111111111111111 ]

[ [ -1.5625122, 0.04635633, -0.01901579 ], [ 0.04635633, -1.524555, 0.01276255 ], [ -0.01901579, 0.01276255, -1.5951126 ] ]

-86.66232

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

[ [ -0.00153721, -0.00056787, -0.00099162 ], [ 0.00153721, 0.00056787, 0.00099162 ], [ -0.00005689, 0.00163776, -0.00099162 ], [ 0.00005689, -0.00163776, 0.00099162 ], [ -0.00043444, 0.00029158, -0.00429981 ], [ 0.00043444, -0.00029158, 0.00429981 ], [ 0.00355425, -0.00238546, 0.00066256 ], [ -0.00355425, 0.00238546, -0.00066256 ], [ -0.00065129, 0.00044537, 0.00076376 ], [ 0.00065129, -0.00044537, -0.00076376 ], [ -0.00065892, 0.00043399, 0.00076376 ], [ 0.00065892, -0.00043399, -0.00076376 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00102592, 0.00068855, 0.00119608 ], [ 0.00102592, -0.00068855, -0.00119608 ], [ 0.00422797, -0.00283763, 0.00526006 ], [ -0.00422797, 0.00283763, -0.00526006 ] ]

0.000376

19.304806

pbe

true

2d3c7b6226e3ade8278ea0e3760b62c2_71_Pm12Zn2Ni4

[ "Os", "Pd", "Sb" ]

5

A3BC

OsPd3Sb

Sb1 Os1 Pd3

3

[ 1, 1, 1 ]

3

[ [ 4.82842943, 0, 0 ], [ 0, 4.82842943, 0 ], [ 0, 0, 4.82842943 ] ]

agm002573790

[ [ 2.414214715, 2.414214715, 2.414214715 ], [ 0, 0, 0 ], [ 0, 2.414214715, 0 ], [ 0, 0, 2.414214715 ], [ 2.414214715, 0, 0 ] ]

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

[ "Sb", "Os", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 3.6488855, 0, 0 ], [ 0, 3.6488855, 0 ], [ 0, 0, 3.6488855 ] ]

-25.323786

[ 0, 0, 0, 0, 0 ]

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

-0.000327

7.64489

pbe

true

312b8785858469212cb77b0965a77c77_221_Sb1Os1Pd3

[ "I", "K", "Na" ]

3

ABC

IKNa

K1 Na1 I1

3

[ 1, 1, 1 ]

3

[ [ 4.19493961, 0, 0 ], [ 0, 4.19493961, 0 ], [ -2.09746981, -2.09746981, 7.56120188 ] ]

agm001839050

[ [ 2.0974698032632335, 2.0974698032632335, 2.6264081225361284 ], [ -2.3946463186078392e-8, -2.3946463186078392e-8, 4.494023096595658 ], [ 2.068322936956269e-8, 2.068322936956269e-8, 0.44077066086821237 ] ]

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

[ "I", "Na", "K" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.57162285, 0, 0 ], [ 0, 0.57162285, 0 ], [ 0, 0, 0.79195285 ] ]

-6.278315

[ 0, 0, 0 ]

[ [ 0, 0, 0.0027372 ], [ 0, 0, -0.00036295 ], [ 0, 0, -0.00237425 ] ]

-0.000001

0.913031

pbe

true

710d9a2da63df9f79cec4104e2dfa526_107_K1Na1I1

[ "As", "Pd", "Pt" ]

4

A2BC

AsPd2Pt

As1 Pd2 Pt1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.16563151, 3.16563151 ], [ 3.16563151, 0, 3.16563151 ], [ 3.16563151, 3.16563151, 0 ] ]

agm002637062

[ [ 0, 0, 0 ], [ 1.582815755, 1.582815755, 1.582815755 ], [ 4.748447264999999, 4.748447264999999, 4.748447264999999 ], [ 3.16563151, 3.16563151, 3.16563151 ] ]

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

[ "As", "Pd", "Pd", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 9.341848, 0, 0 ], [ 0, 9.341848, 0 ], [ 0, 0, 9.341848 ] ]

-21.494628

[ 0, 0, 0, 0 ]

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

0

2.610295

pbe

true

b112aaf2645de095ffaf6e5c5a1a95ae_225_As1Pd2Pt1

[ "La", "Rh", "Zn" ]

5

A3BC

LaRhZn3

La1 Zn3 Rh1

3

[ 1, 1, 1 ]

3

[ [ 5.51133005, 0, 0 ], [ 0, 5.51133005, 0 ], [ 0, 0, 5.51133005 ] ]

agm002626030

[ [ 0, 2.755665025, 0 ], [ 0, 0, 2.755665025 ], [ 2.755665025, 0, 0 ], [ 2.755665025, 2.755665025, 2.755665025 ], [ 0, 0, 0 ] ]

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

[ "Zn", "Zn", "Zn", "Rh", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 2.082969, 0, 0 ], [ 0, 2.082969, 0 ], [ 0, 0, 2.082969 ] ]

-8.630414

[ -0.028, -0.011, -0.087, 1.048, -0.302 ]

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

0.299689

13.325376

pbe

true

444886f977a8e1e6a9e0a352609facd9_221_La1Zn3Rh1

[ "Mg", "Pb", "W" ]

4

A2BC

MgPbW2

Mg1 Pb1 W2

3

[ 1, 1, 1 ]

3

[ [ 4.67928419, 0, 0 ], [ 2.3396421, 4.05237898, 0 ], [ 2.3396421, 1.35079299, 3.82061954 ] ]

agm003794420

[ [ 4.679284194999999, 2.7015859850000004, 1.91030977 ], [ 7.0189262925, 4.0523789775, 2.8654646550000002 ], [ 0, 0, 0 ], [ 2.3396420974999996, 1.3507929925000002, 0.955154885 ] ]

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

[ "Mg", "Pb", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.4334164, 0, 0 ], [ 0, 5.4334164, 0 ], [ 0, 0, 5.4334164 ] ]

-28.286895

[ 0, 0, 0, 0 ]

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

-0.000019

0.912972

pbe

true

b714501e9675356035b642da4f01121c_216_Mg1Pb1W2

[ "Mo", "N", "O" ]

10

A2B2C

MoN2O2

Mo2 N4 O4

3

[ 1, 1, 1 ]

3

[ [ 5.17553481, 0, 0 ], [ 0, 5.17553481, 0 ], [ 0, 0, 3.39186087 ] ]

agm002998381

[ [ 0, 0, 0 ], [ 2.587767405, 2.587767405, 0 ], [ 1.2002104558454558, 3.787977860845456, 1.695930435 ], [ 3.787977860845456, 3.9753243541545444, 1.695930435 ], [ 3.9753243541545444, 1.3875569491545445, 1.695930435 ], [ 1.3875569491545445, 1.2002104558454558, 1.695930435 ], [ 2.1750477456741764, 4.762815150674177, 0 ], [ 4.762815150674177, 3.000487064325824, 0 ], [ 3.000487064325824, 0.41271965932582355, 0 ], [ 0.41271965932582355, 2.1750477456741764, 0 ] ]

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

[ "Mo", "Mo", "O", "O", "O", "O", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 2.3182359, 0, 0 ], [ 0, 2.3182359, 0 ], [ 0, 0, 2.4957483 ] ]

-59.210814

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00521769, -0.00521769, 0 ], [ -0.00521769, 0.00521769, 0 ], [ 0.00521769, 0.00521769, 0 ], [ 0.00521769, -0.00521769, 0 ], [ 0.0073005, 0.0073005, 0 ], [ 0.0073005, -0.0073005, 0 ], [ -0.0073005, -0.0073005, 0 ], [ -0.0073005, 0.0073005, 0 ] ]

-0.000022

4.437483

pbe

true

e86d2594f2f78b54c917dc73b4285fa4_127_Mo2N4O4

[ "Pm", "Pr", "Sn" ]

11

A6B4C

PmPr6Sn4

Pm1 Pr6 Sn4

3

[ 1, 1, 1 ]

3

[ [ 8.35043092, -0.29325323, -0.43127728 ], [ -4.12086249, 7.26871285, 0.43127728 ], [ -4.12086249, -2.27134468, 6.9181775 ] ]

agm003661732

[ [ 0, 0, 0 ], [ -5.477335243601405, 4.829987176708907, 3.8584103690708877 ], [ -5.477335243601405, 1.812374918414742, 5.91027950724401 ], [ 4.248187873857055, 0.685334830593925, 1.007897992755989 ], [ 2.1147842150000002, -1.282298955, 3.24345011 ], [ -1.4265364266542457, 2.3737861842824266, 3.4910444109291117 ], [ 2.1147842150000002, 3.48772981, 0 ], [ 5.044335636287324, -0.470380736900829, 4.000422994100068 ], [ 1.4802263154010555, 1.6907161844393612, 2.4864772258999315 ], [ 5.044335636287324, 3.8931746061173103, 1.0333603715116126 ], [ -3.001054787975703, 4.001466596344158, 5.884817128488387 ] ]

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

[ "Pm", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.09090909090909091, 0.5454545454545454, 0.36363636363636365 ]

[ [ 1.2014177, 0.00434794, 0.00639436 ], [ 0.00434794, 1.2059519, -0.00387722 ], [ 0.00639436, -0.00387722, 1.2028862 ] ]

-53.604935

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

[ [ 0, 0, 0 ], [ 0.00039352, -0.00214791, 0.00094733 ], [ 0.00039352, 0.00167068, -0.00164917 ], [ 0.00129944, 0.00112138, 0.00164917 ], [ 0, 0, 0 ], [ -0.00208649, -0.00064415, -0.00094733 ], [ 0, 0, 0 ], [ 0.0011213, 0.00042227, -0.00174934 ], [ -0.00014401, 0.00118949, 0.00174934 ], [ 0.0011213, -0.00178207, -0.00025047 ], [ -0.00209859, 0.00017031, 0.00025047 ] ]

0.000103

12.258916

pbe

true

c2ac93149fe36d9bc791039f10919845_121_Pm1Pr6Sn4

[ "Ac", "Ce", "Er", "Y" ]

4

ABCD

AcCeErY

Ac1 Ce1 Y1 Er1

4

[ 1, 1, 1 ]

3

[ [ 5.82693985, 0, 0 ], [ 2.91346993, 5.04627794, 0 ], [ 2.91346993, 1.68209265, 4.75767647 ] ]

agm001322591

[ [ 0, 0, 0 ], [ 8.7404097825, 5.046277942500001, 3.5682573525 ], [ 2.9134699275, 1.6820926475000002, 1.1894191175 ], [ 5.826939855, 3.3641852950000004, 2.378838235 ] ]

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

[ "Y", "Ac", "Ce", "Er" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.9068396, 0, 0 ], [ 0, 0.9068396, 0 ], [ 0, 0, 0.9068396 ] ]

-20.363728

[ -0.01, -0.012, 0.696, -0.02 ]

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

0.683356

9.858164

pbe

true

90d798c372a1122c0aaa368af8d494fe_216_Ac1Ce1Y1Er1

[ "Ac", "Co", "Li", "Pm" ]

4

ABCD

AcCoLiPm

Li1 Ac1 Pm1 Co1

4

[ 1, 1, 1 ]

3

[ [ 5.16844154, 0, 0 ], [ 2.58422077, 4.47600167, 0 ], [ 2.58422077, 1.49200056, 4.22001485 ] ]

agm001382014

[ [ 2.58422077, 1.4920005575, 1.0550037125 ], [ 0, 0, 0 ], [ 5.16844154, 2.984001115, 2.110007425 ], [ 7.75266231, 4.4760016725, 3.1650111375 ] ]

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

[ "Ac", "Li", "Co", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.7127699, 0, 0 ], [ 0, 0.7127699, 0 ], [ 0, 0, 0.7127699 ] ]

-17.445178

[ 0, 0, 0, 0 ]

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

-0.00013

4.316203

pbe

true

b985e25490a8a663bf2f192b96a78ee1_216_Li1Ac1Pm1Co1

[ "Br", "Cr", "K" ]

4

A2BC

BrCrK2

K2 Cr1 Br1

3

[ 1, 1, 1 ]

3

[ [ 5.96812989, 0, 0 ], [ 2.98406495, 5.1685521, 0 ], [ 2.98406495, 1.7228507, 4.87295765 ] ]

agm004356715

[ [ 5.968129895000001, 3.4457014, 2.436478825 ], [ 8.9521948425, 5.1685521, 3.6547182375 ], [ 0, 0, 0 ], [ 2.9840649475000003, 1.7228507, 1.2182394125 ] ]

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

[ "Br", "Cr", "K", "K" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4054309, 0, 0 ], [ 0, 1.4054309, 0 ], [ 0, 0, 1.4054309 ] ]

-12.853175

[ 0.012, 4.247, 0.015, 0.001 ]

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

5.075976

1.1695

pbe

true

0ca4439e533a3b8f09143e0edb072ca2_216_K2Cr1Br1

[ "Cd", "Pm", "Pt" ]

4

A2BC

CdPm2Pt

Pm2 Cd1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 4.22170369, 0, 0 ], [ 2.11085184, 3.65610264, 0 ], [ 2.11085184, 1.21870088, 7.70421229 ] ]

agm005105408

[ [ 2.1108518617801426, 1.2187008921870088, 6.151911742271698 ], [ 2.1108518426631835, 1.2187008799999999, 1.5488929746324356 ], [ 4.2217036639024235, 2.4374017478129915, 3.826816220694723 ], [ 4.221701575802411, 2.43740054129912, 0.0286897931888539 ] ]

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

[ "Pm", "Pm", "Cd", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.6530418, 0, 0 ], [ 0, 2.6530418, 0 ], [ 0, 0, 2.8055012 ] ]

-18.934731

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00474438 ], [ 0, 0, -0.00502181 ], [ 0, 0, 0.00041611 ], [ 0, 0, -0.00013867 ] ]

0.000008

3.805728

pbe

true

5c54b0960b9ed0fc3494d41a5ef2bea9_160_Pm2Cd1Pt1

[ "B", "Ca", "Hf", "Tl" ]

5

A2BCD

BCa2HfTl

Ca2 Hf1 Tl1 B1

4

[ 1, 1, 1 ]

3

[ [ 5.2419356, 0, 0 ], [ 0, 4.60030056, 0 ], [ 0, 0, 5.2419356 ] ]

agm001476221

[ [ 2.6209678, 2.30015028, 2.6209678 ], [ 0, 0, 0 ], [ 0, 2.30015028, 0 ], [ 0, 0, 2.6209678 ], [ 2.6209678, 0, 0 ] ]

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

[ "Tl", "B", "Hf", "Ca", "Ca" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 2.6396875, 0, 0 ], [ 0, -4.351464, 0 ], [ 0, 0, 2.6396875 ] ]

-22.550522

[ 0, 0, 0, 0, 0 ]

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

0

3.810446

pbe

true

4b709bedbc1e3cfb0508fdeec715c2c2_123_Ca2Hf1Tl1B1

[ "C", "Pa", "Ru", "Sm" ]

16

A4B2CD

C4Pa2RuSm

Sm2 Pa4 Ru2 C8

4

[ 1, 1, 1 ]

3

[ [ 3.58688756, 0, 0 ], [ -1.79344378, 5.92969365, 0 ], [ 0, 0, 11.92877579 ] ]

agm004776243

[ [ 2.085987141903871e-17, 1.344969200095191, 8.946581842499999 ], [ 1.79344378, 4.584724449904809, 2.9821939475 ], [ 2.7087776060966463e-17, 4.359067823364345, 6.492222982766373 ], [ 1.79344378, 1.5706258266356552, 0.5278350877663731 ], [ 1.79344378, 1.5706258266356552, 5.436552807233626 ], [ 2.7087776060966463e-17, 4.359067823364345, 11.400940702233626 ], [ 1.7934437620655623, 4.147929518053477, 8.946581842499999 ], [ 1.793443780277618e-8, 1.7817641319465225, 2.9821939475 ], [ 1.6120036102876156e-17, 3.121360495922385, 1.489263401623319 ], [ 1.79344378, 2.808333154077615, 7.4536512966233195 ], [ 1.79344378, 2.808333154077615, 10.43951238837668 ], [ 1.6120036102876156e-17, 3.121360495922385, 4.47512449337668 ], [ 0, 0, 5.964387895 ], [ 0, 0, 0 ], [ 9.342371976568984e-17, 5.122927875916647, 8.946581842499999 ], [ 1.79344378, 0.806765774083353, 2.9821939475 ] ]

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

[ "Sm", "Sm", "Pa", "Pa", "Pa", "Pa", "Ru", "Ru", "C", "C", "C", "C", "C", "C", "C", "C" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.125, 0.125 ]

[ [ 0.03456013, 0, 0 ], [ 0, -0.03809998, 0 ], [ 0, 0, 0.25230786 ] ]

-142.005397

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

[ [ 0, -0.00204232, 0 ], [ 0, 0.00204232, 0 ], [ 0, 0.00009871, 0.00112709 ], [ 0, -0.00009871, 0.00112709 ], [ 0, -0.00009871, -0.00112709 ], [ 0, 0.00009871, -0.00112709 ], [ 0, 0.00187469, 0 ], [ 0, -0.00187469, 0 ], [ 0, 0.00245981, 0.00158103 ], [ 0, -0.00245981, 0.00158103 ], [ 0, -0.00245981, -0.00158103 ], [ 0, 0.00245981, -0.00158103 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00295487, 0 ], [ 0, 0.00295487, 0 ] ]

-0.000006

10.38222

pbe

true

a00ef29130def505cecb73cf3710f621_63_Sm2Pa4Ru2C8

[ "Cl", "Fe", "Mg" ]

4

A2BC

Cl2FeMg

Mg1 Fe1 Cl2

3

[ 1, 1, 1 ]

3

[ [ 3.11635524, 0, 0 ], [ 0, 3.11603333, 0 ], [ 0, 0, 8.96881935 ] ]

agm003861846

[ [ 0, 0, 0.724928322270447 ], [ 0, 0, 3.759481352729553 ], [ 1.55817762, 1.558016665, 2.2422048375 ], [ 1.55817762, 1.558016665, 6.7266145125 ] ]

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

[ "Cl", "Cl", "Fe", "Mg" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.802749, 0, 0 ], [ 0, 1.9035585, 0 ], [ 0, 0, 2.1569135 ] ]

-14.531081

[ 0.122, 0.122, 3.311, 0.003 ]

[ [ 0, 0, -0.00219924 ], [ 0, 0, 0.00219924 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.666658

1.280818

pbe

true

b6294d0d5c7c26ddfa11c6e6da5d7d75_123_Mg1Fe1Cl2

[ "Co", "Li", "Pu", "Sn" ]

4

ABCD

CoLiPuSn

Li1 Pu1 Co1 Sn1

4

[ 1, 1, 1 ]

3

[ [ 4.65351131, 0, 0 ], [ 2.32675565, 4.03005901, 0 ], [ 2.32675565, 1.343353, 3.79957607 ] ]

agm001335699

[ [ 4.653511305, 2.6867060050000005, 1.899788035 ], [ 0, 0, 0 ], [ 2.3267556525, 1.3433530025000002, 0.9498940175 ], [ 6.9802669575000005, 4.0300590075, 2.8496820525 ] ]

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

[ "Li", "Co", "Sn", "Pu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.9293432, 0, 0 ], [ 0, 3.9293432, 0 ], [ 0, 0, 3.9293432 ] ]

-28.148143

[ 0.047, -1.134, -0.103, 5.103 ]

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

4.104944

9.516807

pbe

true

e41bf99e95852e50dbc9ea9239a4c42f_216_Li1Pu1Co1Sn1

[ "Dy", "N", "Tm" ]

4

A2BC

DyN2Tm

Dy1 Tm1 N2

3

[ 1, 1, 1 ]

3

[ [ 3.37836136, 0, 0 ], [ 1.68918068, 2.92574676, 0 ], [ 1.68918068, 0.97524892, 5.85019089 ] ]

agm005127073

[ [ 3.3783613431081934, 1.9504978302475109, 2.9727462443315016 ], [ 5.06754035081932, 2.92574578475108, 5.8277079628887325 ], [ 1.6891806631081931, 0.9752489102475107, 4.423921956266157 ], [ 1.6891806968918068, 0.9752489297524892, 1.4010951528208107 ] ]

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

[ "Dy", "Tm", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.5567041, 0, 0 ], [ 0, 0.5567041, 0 ], [ 0, 0, 0.7819541 ] ]

-31.82476

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00449434 ], [ 0, 0, -0.0043846 ], [ 0, 0, 0.00121202 ], [ 0, 0, -0.00132175 ] ]

0.000001

0.030292

pbe

true

127db7aa30154a839b04977226a2bad0_160_Dy1Tm1N2

[ "Dy", "Ge", "Ru", "Si" ]

20

A5B2C2D

Dy2GeRu5Si2

Dy4 Si4 Ge2 Ru10

4

[ 1, 1, 1 ]

3

[ [ 3.20601605, 0, 0 ], [ 0, 9.9829311, 0 ], [ 0, 0, 9.9829311 ] ]

agm005129511

[ [ 0, 6.7224186517514966, 1.730953101751497 ], [ 0, 3.260512448248503, 8.251977998248503 ], [ 0, 1.730953101751497, 3.260512448248503 ], [ 0, 8.251977998248503, 6.7224186517514966 ], [ 0, 1.271554784877879, 6.263020334877878 ], [ 0, 8.711376315122122, 3.719910765122121 ], [ 0, 6.263020334877878, 8.711376315122122 ], [ 0, 3.719910765122121, 1.271554784877879 ], [ 0, 0, 0 ], [ 0, 4.99146555, 4.99146555 ], [ 1.603008025, 2.05049404794, 0.659613387453132 ], [ 1.603008025, 7.93243705206, 9.323317712546867 ], [ 1.603008025, 0.659613387453132, 7.93243705206 ], [ 1.603008025, 7.04195959794, 4.331852162546868 ], [ 1.603008025, 9.323317712546867, 2.05049404794 ], [ 1.603008025, 2.9409715020599996, 5.651078937453132 ], [ 1.603008025, 5.651078937453132, 7.04195959794 ], [ 1.603008025, 4.331852162546868, 2.9409715020599996 ], [ 1.603008025, 4.99146555, 0 ], [ 1.603008025, 0, 4.99146555 ] ]

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

[ "Dy", "Dy", "Dy", "Dy", "Si", "Si", "Si", "Si", "Ge", "Ge", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.2, 0.1, 0.5, 0.2 ]

[ [ 2.902854, 0, 0 ], [ 0, 2.7974825, 0 ], [ 0, 0, 2.7974825 ] ]

-155.073097

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

[ [ 0, 0.00164255, 0.00164255 ], [ 0, -0.00164255, -0.00164255 ], [ 0, 0.00164255, -0.00164255 ], [ 0, -0.00164255, 0.00164255 ], [ 0, -0.00182284, -0.00182284 ], [ 0, 0.00182284, 0.00182284 ], [ 0, -0.00182284, 0.00182284 ], [ 0, 0.00182284, -0.00182284 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00496258, 0.00111393 ], [ 0, -0.00496258, -0.00111393 ], [ 0, 0.00111393, -0.00496258 ], [ 0, 0.00496258, -0.00111393 ], [ 0, -0.00111393, 0.00496258 ], [ 0, -0.00496258, 0.00111393 ], [ 0, 0.00111393, 0.00496258 ], [ 0, -0.00111393, -0.00496258 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.00001

8.779719

pbe

true

16b6a8970d9d53c0e1b76b7c5a275ed3_127_Dy4Si4Ge2Ru10

[ "Ga", "Pd", "Pr", "Ru" ]

20

A5B2C2D

Ga5PdPr2Ru2

Pr4 Ga10 Pd2 Ru4

4

[ 1, 1, 1 ]

3

[ [ 3.24336183, 0, 0 ], [ 0, 10.71874821, 0 ], [ 0, 0, 10.71874821 ] ]

agm005134487

[ [ 0, 7.309724837109559, 1.9503507321095594 ], [ 0, 3.40902337289044, 8.76839747789044 ], [ 0, 1.9503507321095594, 3.40902337289044 ], [ 0, 8.76839747789044, 7.309724837109559 ], [ 1.621680915, 2.074973651610392, 0.5751900023824305 ], [ 1.621680915, 8.643774558389607, 10.143558207617568 ], [ 1.621680915, 0.5751900023824305, 8.643774558389607 ], [ 1.621680915, 7.434347756610391, 4.784184102617569 ], [ 1.621680915, 10.143558207617568, 2.074973651610392 ], [ 1.621680915, 3.2844004533896083, 5.93456410738243 ], [ 1.621680915, 5.93456410738243, 7.434347756610391 ], [ 1.621680915, 4.784184102617569, 3.2844004533896083 ], [ 1.621680915, 5.359374105, 0 ], [ 1.621680915, 0, 5.359374105 ], [ 0, 0, 0 ], [ 0, 5.359374105, 5.359374105 ], [ 0, 1.3542954000865788, 6.713669505086578 ], [ 0, 9.364452809913422, 4.005078704913421 ], [ 0, 6.713669505086578, 9.364452809913422 ], [ 0, 4.005078704913421, 1.3542954000865788 ] ]

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

[ "Pr", "Pr", "Pr", "Pr", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Pd", "Pd", "Ru", "Ru", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.5, 0.1, 0.2, 0.2 ]

[ [ 4.0474234, 0, 0 ], [ 0, 3.7439604, 0 ], [ 0, 0, 3.7439604 ] ]

-105.025224

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

[ [ 0, -0.00197326, -0.00197326 ], [ 0, 0.00197326, 0.00197326 ], [ 0, -0.00197326, 0.00197326 ], [ 0, 0.00197326, -0.00197326 ], [ 0, -0.00788776, -0.00376376 ], [ 0, 0.00788776, 0.00376376 ], [ 0, -0.00376376, 0.00788776 ], [ 0, -0.00788776, 0.00376376 ], [ 0, 0.00376376, -0.00788776 ], [ 0, 0.00788776, -0.00376376 ], [ 0, -0.00376376, -0.00788776 ], [ 0, 0.00376376, 0.00788776 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00169161, 0.00169161 ], [ 0, -0.00169161, -0.00169161 ], [ 0, 0.00169161, -0.00169161 ], [ 0, -0.00169161, 0.00169161 ] ]

-0.000036

12.799509

pbe

true

ed9f3b65dc4419b03b0592ffa79857c3_127_Pr4Ga10Pd2Ru4

[ "Hg", "K", "Sb", "Te" ]

16

A4B2CD

HgKSb2Te4

K2 Hg2 Sb4 Te8

4

[ 1, 1, 1 ]

3

[ [ 4.56322723, 0, 0 ], [ -2.28161361, 7.26329608, 0 ], [ 0, 0, 16.80861462 ] ]

agm004780184

[ [ -2.154539486421552e-8, 1.8459539879638602, 12.606460965 ], [ 2.281613641545395, 5.41734209203614, 4.202153655 ], [ 2.2816135954481838, 4.741944314074237, 12.606460965 ], [ 2.455181624173795e-8, 2.521351765925762, 4.202153655 ], [ 2.65109650618698e-8, 5.367327180495181, 9.463982886657432 ], [ 2.281613593489035, 1.8959688995048183, 1.0596755766574322 ], [ 2.281613593489035, 1.8959688995048183, 7.344631733342569 ], [ 2.65109650618698e-8, 5.367327180495181, 15.748939043342569 ], [ -2.0082384694932463e-8, 3.9712090928299415, 1.6696714629890275 ], [ 2.2816136400823845, 3.2920869871700584, 10.073978772989026 ], [ 2.2816136400823845, 3.2920869871700584, 15.138943157010974 ], [ -2.0082384694932463e-8, 3.9712090928299415, 6.734635847010972 ], [ 0, 0, 8.40430731 ], [ 0, 0, 0 ], [ 4.4525361496944705e-9, 6.468017745503619, 12.606460965 ], [ 2.281613615547464, 0.7952783344963807, 4.202153655 ] ]

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

[ "K", "K", "Hg", "Hg", "Sb", "Sb", "Sb", "Sb", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.25, 0.5 ]

[ [ 0.9885948, 0, 0 ], [ 0, 1.0134071, 0 ], [ 0, 0, 1.1066965 ] ]

-48.200756

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

[ [ 0, -0.00313512, 0 ], [ 0, 0.00313512, 0 ], [ 0, 0.00518593, 0 ], [ 0, -0.00518593, 0 ], [ 0, 0.00064155, 0.003311 ], [ 0, -0.00064155, 0.003311 ], [ 0, -0.00064155, -0.003311 ], [ 0, 0.00064155, -0.003311 ], [ 0, 0.00288925, 0.00110196 ], [ 0, -0.00288925, 0.00110196 ], [ 0, -0.00288925, -0.00110196 ], [ 0, 0.00288925, -0.00110196 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00142991, 0 ], [ 0, -0.00142991, 0 ] ]

-0.000001

4.017353

pbe

true

0cb02b8974a5e065a1096b08fed95d77_63_K2Hg2Sb4Te8

[ "Ir", "Li", "Nd", "Ni" ]

4

ABCD

IrLiNdNi

Li1 Nd1 Ni1 Ir1

4

[ 1, 1, 1 ]

3

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agm001356757

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[ "Ni", "Ir", "Nd", "Li" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

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0.000663

4.556726

pbe

true

09ec1360046a13b52dfa4255f0bf26e2_216_Li1Nd1Ni1Ir1

[ "Na", "O", "Pu", "Tm" ]

10

A6B2CD

Na2O6PuTm

Na2 Tm1 Pu1 O6

4

[ 1, 1, 1 ]

3

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agm004951849

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[ "Na", "Na", "Tm", "Pu", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.1, 0.1 ]

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-76.561216

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0.999999

-0.101177

pbe

true

95000820120cea5c3657cc1620313614_146_Na2Tm1Pu1O6

[ "Fe", "Hf", "Y" ]

10

A2B2C

FeHf2Y2

Y4 Hf4 Fe2

3

[ 1, 1, 1 ]

3

[ [ 6.58978607, 0, 0 ], [ 0, 6.58978607, 0 ], [ 0, 0, 5.39995696 ] ]

agm002977426

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[ "Y", "Y", "Y", "Y", "Hf", "Hf", "Hf", "Hf", "Fe", "Fe" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 2.9437423, 0, 0 ], [ 0, 2.9437423, 0 ], [ 0, 0, -0.04180209 ] ]

-81.298027

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

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0

5.552501

pbe

true

0e77d498a7ed6b2adfd5b90855e04fc8_127_Y4Hf4Fe2

[ "Mg", "Pr", "Pt", "Sn" ]

10

A4B3C2D

MgPr2Pt4Sn3

Pr2 Mg1 Sn3 Pt4

4

[ 1, 1, 1 ]

3

[ [ 4.57418459, 0, 0 ], [ 0, 4.57418459, 0 ], [ 0, 0, 10.75406952 ] ]

agm004516433

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

[ "Pr", "Pr", "Mg", "Sn", "Sn", "Sn", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.1, 0.2, 0.4, 0.3 ]

[ [ 4.880285, 0, 0 ], [ 0, 4.880285, 0 ], [ 0, 0, 5.011855 ] ]

-56.014384

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

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-0.000006

5.158799

pbe

true

a1710ca13e8235d86af199a23c85aece_115_Pr2Mg1Sn3Pt4

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

7

A3B2C2

Ga2Sn3Tb2

Tb2 Ga2 Sn3

3

[ 1, 1, 1 ]

3

[ [ 4.51120444, 0, 0 ], [ 0, 6.79269534, 0.9797749 ], [ -2.25560222, -1.72023218, 5.21644696 ] ]

agm003308459

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

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

2023-11-16 06:57:59

[ 0.2857142857142857, 0.42857142857142855, 0.2857142857142857 ]

[ [ 2.8314967, 0, 0 ], [ 0, 2.8919203, 0.08444238 ], [ 0, 0.08444244, 2.9717236 ] ]

-30.848429

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

[ [ 0, 0.00540867, 0.00178143 ], [ 0, -0.00540867, -0.00178143 ], [ 0, 0.00099138, 0.00115665 ], [ 0, -0.00099138, -0.00115665 ], [ 0, 0, 0 ], [ 0, 0.00021059, 0.00240453 ], [ 0, -0.00021059, -0.00240453 ] ]

-0.000003

2.716136

pbe

true

03a3a8c9d866700c44e4946ddfeae12b_12_Tb2Ga2Sn3

[ "Hg", "Nd", "Pm" ]

14

A5BC

HgNd5Pm

Pm2 Nd10 Hg2

3

[ 1, 1, 1 ]

3

[ [ 8.37234309, 0.70746421, 3.27635089 ], [ 3.32709251, 7.71538008, 3.27635089 ], [ 7.86607017, 5.66306671, 12.07267836 ] ]

agm003761236

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

[ "Pm", "Pm", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.7142857142857143, 0.14285714285714285 ]

[ [ 0.99137497, -0.00204538, -0.0164688 ], [ -0.00204538, 0.9927435, -0.01185648 ], [ -0.01646896, -0.0118566, 0.9845532 ] ]

-57.839769

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[ [ 0.00081902, -0.00113763, 0 ], [ -0.00081902, 0.00113763, 0 ], [ -0.00008448, -0.0031832, -0.00366096 ], [ -0.00039548, 0.00247795, -0.00132099 ], [ -0.00304556, 0.00092978, -0.00366096 ], [ -0.00176692, 0.00245427, 0 ], [ -0.00222447, 0.0011612, 0.00132099 ], [ 0.00222447, -0.0011612, -0.00132099 ], [ 0.00176692, -0.00245427, 0 ], [ 0.00304556, -0.00092978, 0.00366096 ], [ 0.00039548, -0.00247795, 0.00132099 ], [ 0.00008448, 0.0031832, 0.00366096 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000022

20.152128

pbe

true

287d78a086d3dcb7cc1693e24d73a975_15_Pm2Nd10Hg2

[ "Cu", "Sc" ]

14

A5B2

Cu2Sc5

Sc10 Cu4

2

[ 1, 1, 1 ]

3

[ [ 5.75588479, -0.00000117, -2.4434802 ], [ -1.16117375, 5.74525361, -2.73527539 ], [ 0.17173392, 0.39546617, 8.405603 ] ]

agm005531291

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

[ "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.7142857142857143 ]

[ [ -2.0036643, 0.00968788, -0.11229451 ], [ 0.00968788, -2.3032987, 0.0228189 ], [ -0.11229451, 0.0228189, -2.2205203 ] ]

-81.269354

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-0

14.061946

pbe

true

8f750941859bdeabb34644924d594371_72_Sc10Cu4

[ "Pb", "Te" ]

12

AB

PbTe

Te6 Pb6

2

[ 1, 1, 1 ]

3

[ [ 20.79092335, 0, 0 ], [ -10.39546167, 18.00546779, 0 ], [ 0, 0, 3.16426665 ] ]

agm1000018629

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

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

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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-40.539336

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0

3.804329

pbe

true

c643ce21b6a725696d589dd95ad5145f_4_Te6Pb6

[ "Ac", "As", "Rh" ]

8

A2BC

Ac2AsRh

Ac4 As2 Rh2

3

[ 1, 1, 1 ]

3

[ [ 4.51352427, 0, 0 ], [ 0, 4.25769625, -0.75620796 ], [ 0, 0.0195574, 12.47431733 ] ]

agm005758361

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

[ "Ac", "Ac", "Ac", "Ac", "As", "As", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.2428365, 0, 0 ], [ 0, 2.1199267, 0.0254538 ], [ 0, 0.0254538, 2.2587178 ] ]

-48.30985

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0

3.089294

pbe

true

658adf110907845e95250f25e78fee72_63_Ac4As2Rh2

[ "Ho", "Pm", "Sn" ]

16

A3B3C2

Ho2Pm3Sn3

Pm6 Ho4 Sn6

3

[ 1, 1, 1 ]

3

[ [ 6.6411578, 0, 0 ], [ 0, 9.11670556, 0 ], [ 0, -4.55835278, 7.89529862 ] ]

agm003327004

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

[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Ho", "Ho", "Ho", "Ho", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.25, 0.375, 0.375 ]

[ [ 1.59889, 0, 0 ], [ 0, 1.5898335, 0 ], [ 0, 0, 1.5898335 ] ]

-82.368987

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

[ [ 0, 0.00031635, 0 ], [ 0, -0.00015817, -0.00027396 ], [ 0, -0.00015817, 0.00027396 ], [ 0, -0.00031635, 0 ], [ 0, 0.00015817, 0.00027396 ], [ 0, 0.00015817, -0.00027396 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00363001, 0 ], [ 0, -0.00181501, -0.00314368 ], [ 0, -0.00181501, 0.00314368 ], [ 0, -0.00363001, 0 ], [ 0, 0.00181501, 0.00314368 ], [ 0, 0.00181501, -0.00314368 ] ]

0.000013

15.692406

pbe

true

cc472cadd3aff333328a713884f9d5cf_193_Pm6Ho4Sn6

[ "In", "O", "Re" ]

4

A2BC

In2ORe

In2 Re1 O1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.28026837, 3.28026837 ], [ 3.28026837, 0, 3.28026837 ], [ 3.28026837, 3.28026837, 0 ] ]

agm002717647

[ [ 3.28026837, 3.28026837, 3.28026837 ], [ 0, 0, 0 ], [ 1.640134185, 1.640134185, 1.640134185 ], [ 4.920402555, 4.920402555, 4.920402555 ] ]

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

[ "Re", "O", "In", "In" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.1428238, 0, 0 ], [ 0, 0.1428238, 0 ], [ 0, 0, 0.1428238 ] ]

-19.855558

[ 1.504, 0.363, -0.024, -0.024 ]

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

2.136925

2.744564

pbe

true

5d27386f9629cb204bf27e5625a5e422_225_In2Re1O1

[ "Ir", "Nb", "Sb" ]

4

A2BC

Ir2NbSb

Nb1 Sb1 Ir2

3

[ 1, 1, 1 ]

3

[ [ 4.62135494, -0.00009272, -0.00002617 ], [ 2.31059717, 4.00230673, -0.00023358 ], [ 2.31062933, 1.33376985, 3.77354304 ] ]

agm002294521

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

[ "Sb", "Nb", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 4.7585196, -0.08921846, 0.11843751 ], [ -0.08921863, 4.8041835, -0.03495098 ], [ 0.11843779, -0.03495084, 4.848469 ] ]

-31.525578

[ 0, -0.001, 0, 0 ]

[ [ 0.0000581, -0.00004468, -0.00000368 ], [ -0.00003268, 0.00002719, -0.0000204 ], [ 0.00096206, 0.00153592, 0.00132141 ], [ -0.00098748, -0.00151843, -0.00129732 ] ]

-0.000072

5.800772

pbe

true

4f3f1e58c9586fef49d3c4562553e0f3_225_Nb1Sb1Ir2

[ "K", "Mo", "Pt" ]

3

ABC

KMoPt

K1 Mo1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 5.05379724, 0, 0 ], [ -2.52689862, 4.37671679, 0 ], [ 0, 0, 2.67125726 ] ]

agm004428446

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

[ "K", "Mo", "Pt" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.1964316, 0, 0 ], [ 0, 5.1964316, 0 ], [ 0, 0, 5.913697 ] ]

-14.8636

[ 0, 0, 0 ]

[ [ 0, 0, 0.00328056 ], [ 0, 0, 0.00037846 ], [ 0, 0, -0.00365902 ] ]

-0.000025

3.296726

pbe

true

b11325a64b14aa0ab374f72e5b1516ad_187_K1Mo1Pt1

[ "La", "N", "Np" ]

5

A3BC

LaN3Np

La1 Np1 N3

3

[ 1, 1, 1 ]

3

[ [ 4.23949829, 0, 0 ], [ 0, 4.23949829, 0 ], [ 0, 0, 4.23949829 ] ]

agm001164479

[ [ 0, 0, 0 ], [ 0, 2.119749145, 0 ], [ 0, 0, 2.119749145 ], [ 2.119749145, 0, 0 ], [ 2.119749145, 2.119749145, 2.119749145 ] ]

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

[ "Np", "N", "N", "N", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.5100802, 0, 0 ], [ 0, 0.5100802, 0 ], [ 0, 0, 0.5100802 ] ]

-48.65307

[ 1.103, -0.052, -0.052, -0.052, 0.03 ]

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

1.000352

2.735815

pbe

true

543a74a38c78aab0fc91a209b4dda8b1_221_La1Np1N3

[ "As", "Ru", "Sr" ]

12

ABC

AsRuSr

Sr4 As4 Ru4

3

[ 1, 1, 1 ]

3

[ [ 6.59587194, 0, 0 ], [ 0, 6.59587194, 0 ], [ 0, 0, 6.59587194 ] ]

agm002199023

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

[ "Ru", "Ru", "Ru", "Ru", "As", "As", "As", "As", "Sr", "Sr", "Sr", "Sr" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.9458756, 0, 0 ], [ 0, 2.9458756, 0 ], [ 0, 0, 2.9458756 ] ]

-68.294076

[ 0, 0, -0.003, 0.002, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00466264, 0.00466264, -0.00466264 ], [ -0.00466264, -0.00466264, 0.00466264 ], [ 0.00466264, 0.00466264, 0.00466264 ], [ 0.00466264, -0.00466264, -0.00466264 ], [ 0.00094307, -0.00094307, 0.00094307 ], [ 0.00094307, 0.00094307, -0.00094307 ], [ -0.00094307, 0.00094307, 0.00094307 ], [ -0.00094307, -0.00094307, -0.00094307 ], [ 0.00123016, -0.00123016, -0.00123016 ], [ -0.00123016, -0.00123016, 0.00123016 ], [ 0.00123016, 0.00123016, 0.00123016 ], [ -0.00123016, 0.00123016, -0.00123016 ] ]

-0

14.45445

pbe

true

4e8050bfa26794e41204d9bb6fb4647c_198_Sr4As4Ru4

[ "Mg", "S", "Se" ]

4

A2BC

Mg2SSe

Mg2 Se1 S1

3

[ 1, 1, 1 ]

3

[ [ 3.79622282, 0, 0 ], [ 1.89811141, 3.2876254, 0 ], [ 1.89811141, 1.09587513, 6.20082022 ] ]

agm001942750

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

[ "S", "Mg", "Mg", "Se" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.66015005, 0, 0 ], [ 0, 0.66015005, 0 ], [ 0, 0, 0.99080724 ] ]

-16.100525

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00050079 ], [ 0, 0, -0.00050079 ], [ 0, 0, 0 ] ]

-0

0

pbe

true

5b90ccbcece49f59a73a2be15b10e9a9_166_Mg2Se1S1

[ "Nd", "Pt", "Sc" ]

10

A2B2C

Nd2Pt2Sc

Nd4 Sc2 Pt4

3

[ 1, 1, 1 ]

3

[ [ 5.99866029, 0, 0 ], [ 0, 7.94009483, 0 ], [ -2.99933014, -3.97004742, 5.51270117 ] ]

agm003405795

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

[ "Nd", "Nd", "Nd", "Nd", "Sc", "Sc", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 2.1580012, 0, 0 ], [ 0, 2.2692783, 0 ], [ 0, 0, 2.3716443 ] ]

-65.047595

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

[ [ 0, 0.00028562, 0.00068486 ], [ 0, -0.00028562, -0.00068486 ], [ 0, 0.00028562, -0.00068486 ], [ 0, -0.00028562, 0.00068486 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00011301, -0.00552166 ], [ 0, 0.00011301, 0.00552166 ], [ 0, -0.00011301, 0.00552166 ], [ 0, 0.00011301, -0.00552166 ] ]

0

6.795718

pbe

true

8906cb72a927e549de33da9e86281da2_72_Nd4Sc2Pt4

[ "Ba", "Li", "Sn" ]

9

A6B2C

BaLi6Sn2

Ba1 Li6 Sn2

3

[ 1, 1, 1 ]

3

[ [ 4.95950174, 0, 0 ], [ 0, 4.95950174, 0 ], [ 0, 0, 8.88471642 ] ]

agm003483749

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

[ "Ba", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.2222222222222222 ]

[ [ 1.1561236, 0, 0 ], [ 0, 1.1561236, 0 ], [ 0, 0, 1.4290773 ] ]

-24.063062

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

[ [ 0, 0, 0 ], [ 0, 0, -0.00064337 ], [ 0, 0, -0.00064337 ], [ 0, 0, 0.00064337 ], [ 0, 0, 0.00064337 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00496957 ], [ 0, 0, -0.00496957 ] ]

0.000255

3.300864

pbe

true

a514f251c829253fb702109e30b17201_123_Ba1Li6Sn2

[ "Ca", "Na", "O", "P", "S", "Zn" ]

120

A12B3C2DEF

CaNa3O12PS2Zn

Ca6 Na18 O72 P6 S12 Zn6

6

[ 1, 1, 1 ]

3

[ [ 9.19952449, 0.006773, 0.01015112 ], [ -4.59387481, 7.96486114, 0.03756563 ], [ 0.02723774, 0.12678181, 22.64794697 ] ]

mp-2714561

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

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2022-06-29 21:21:27

[ 0.05, 0.15, 0.6, 0.05, 0.1, 0.05 ]

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-716.82917

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0

1.127678

pbe

true

ac25be97a781a7bcf3a6500535704d65_1_Na18Ca6Zn6P6S12O72

[ "Ag", "Cd", "Ni" ]

10

A2B2C

AgCd2Ni2

Cd4 Ni4 Ag2

3

[ 1, 1, 1 ]

3

[ [ 7.42235347, 0, 0 ], [ 0, 7.42235347, 0 ], [ 0, 0, 2.97849587 ] ]

agm003003339

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

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ -5.4980035, 0, 0 ], [ 0, -5.4980035, 0 ], [ 0, 0, 0.5731706 ] ]

-31.351625

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

[ [ 0.02087986, 0.02087986, 0 ], [ 0.02087986, -0.02087986, 0 ], [ -0.02087986, -0.02087986, 0 ], [ -0.02087986, 0.02087986, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00144194, -0.00144194, 0 ], [ -0.00144194, 0.00144194, 0 ], [ 0.00144194, 0.00144194, 0 ], [ 0.00144194, -0.00144194, 0 ] ]

0

5.838413

pbe

true

46b23b54f63d91bd4afaa7927a22b78c_127_Cd4Ni4Ag2

[ "Br", "Ru", "Tc" ]

3

ABC

BrRuTc

Tc1 Ru1 Br1

3

[ 1, 1, 1 ]

3

[ [ 6.0012221, -0.00639924, 0 ], [ 4.53315423, 3.93258443, 0 ], [ -5.26718754, -1.96309236, 2.10183526 ] ]

agm003896965

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

[ "Ru", "Tc", "Br" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.7878714, 0.10427169, 0.00000164 ], [ 0.10427169, 5.546962, 6.1e-7 ], [ 0.00000164, 6.1e-7, 5.5081086 ] ]

-19.697494

[ 0, 0, 0 ]

[ [ 0.00848185, 0.00316121, 0 ], [ -0.01396872, -0.00520617, 0 ], [ 0.00548686, 0.00204497, 0 ] ]

0.000101

2.371831

pbe

true

01fab81b430c4c26837ae45ce6eb180e_107_Tc1Ru1Br1

[ "Cd", "Pd", "Sc" ]

19

A12B6C

Cd6Pd12Sc

Sc1 Cd6 Pd12

3

[ 1, 1, 1 ]

3

[ [ 7.12862682, -0.17587221, -0.21069064 ], [ -1.2545632, 7.01956712, -0.21069065 ], [ -1.2545632, -1.46165386, 6.86893595 ] ]

agm003689193

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

[ "Sc", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.3157894736842105, 0.631578947368421, 0.05263157894736842 ]

[ [ 8.985949, 0.02476416, 0.02966666 ], [ 0.02476396, 8.993546, 0.0345639 ], [ 0.02966682, 0.03456376, 9.0061 ] ]

-78.66276

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

[ [ 0, 0, 0 ], [ 0.00084616, 0.0022752, -0.00449061 ], [ 0.00489741, -0.00010491, -0.00143613 ], [ -0.00212062, 0.00462942, -0.00035985 ], [ -0.00084616, -0.0022752, 0.00449061 ], [ -0.00489741, 0.00010491, 0.00143613 ], [ 0.00212062, -0.00462942, 0.00035985 ], [ -0.00433093, -0.00179312, -0.00100534 ], [ -0.00000443, -0.00438226, -0.00194391 ], [ -0.00111581, -0.00017562, -0.00465909 ], [ 0.00433093, 0.00179312, 0.00100534 ], [ 0.00000443, 0.00438226, 0.00194391 ], [ 0.00111581, 0.00017562, 0.00465909 ], [ 0.00258513, 0.00265061, -0.00224631 ], [ -0.00222806, 0.00273857, -0.00250809 ], [ 0.0030447, -0.00214837, -0.00220655 ], [ -0.00258513, -0.00265061, 0.00224631 ], [ 0.00222806, -0.00273857, 0.00250809 ], [ -0.0030447, 0.00214837, 0.00220655 ] ]

-0.000019

11.719391

pbe

true

b0bbf171d6ab757cf236816c3cfa7613_166_Sc1Cd6Pd12

[ "Ca", "Mo", "Y" ]

4

A2BC

Ca2MoY

Ca2 Y1 Mo1

3

[ 1, 1, 1 ]

3

[ [ 3.53990104, 0, 0 ], [ 0, 3.53990104, 0 ], [ 0, 0, 9.48945986 ] ]

agm003832659

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

[ "Y", "Mo", "Ca", "Ca" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.3210834, 0, 0 ], [ 0, 1.3210834, 0 ], [ 0, 0, 1.3902938 ] ]

-18.491945

[ 0.289, 1.985, 0.049, 0.049 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00444351 ], [ 0, 0, -0.00444351 ] ]

3.144771

3.957913

pbe

true

e29cb01e7a0370272a7f23cb47f27f6d_123_Ca2Y1Mo1

[ "Cd", "Li", "Rh" ]

6

A3B2C

Cd3LiRh2

Li1 Cd3 Rh2

3

[ 1, 1, 1 ]

3

[ [ 3.24143163, 0, 0 ], [ 0, 4.32913788, -1.4331765 ], [ 0, 0.011563, 7.29000512 ] ]

agm005820503

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

[ "Li", "Cd", "Cd", "Cd", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ [ 9.489669, 0, 0 ], [ 0, 9.575827, 0.06919958 ], [ 0, 0.06919958, 9.762041 ] ]

-20.631591

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00013266, 0.00040073 ], [ 0, -0.00013266, -0.00040073 ], [ 0, -0.00029187, -0.00088166 ], [ 0, 0.00029187, 0.00088166 ] ]

0

2.129347

pbe

true

3506b328be101e3b486a1c8974d53408_65_Li1Cd3Rh2

[ "Cl", "Hg", "Mo" ]

4

A2BC

ClHg2Mo

Hg2 Mo1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.11474562, 0.10435943, 0 ], [ -1.02737217, 2.94228442, 0 ], [ 0, 0, 8.77841904 ] ]

agm003925059

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

[ "Cl", "Hg", "Hg", "Mo" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 3.9893768, 0.18396188, 0 ], [ 0.18396188, 4.1318407, 0 ], [ 0, 0, 3.9263196 ] ]

-11.533175

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00229642 ], [ 0, 0, -0.00229642 ], [ 0, 0, 0 ] ]

0.000032

3.192964

pbe

true

4dcb72a2cf817cf90886e521f09e0f49_65_Hg2Mo1Cl1

[ "Cu", "K", "Te" ]

10

A2B2C

Cu2K2Te

K4 Cu4 Te2

3

[ 1, 1, 1 ]

3

[ [ 7.32001508, 0, 0 ], [ 0, 7.32001508, 0 ], [ 0, 0, 5.06031245 ] ]

agm002984867

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

[ "K", "K", "K", "K", "Te", "Te", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ -2.3556504, 0, 0 ], [ 0, -2.3556504, 0 ], [ 0, 0, -2.447539 ] ]

-27.919362

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

[ [ 0.00287102, 0.00287102, 0 ], [ 0.00287102, -0.00287102, 0 ], [ -0.00287102, -0.00287102, 0 ], [ -0.00287102, 0.00287102, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02377227, -0.02377227, 0 ], [ -0.02377227, 0.02377227, 0 ], [ 0.02377227, 0.02377227, 0 ], [ 0.02377227, -0.02377227, 0 ] ]

0

0.087127

pbe

true

0c28471a9ec0b55b640687aca62519b9_127_K4Cu4Te2

[ "Li", "Mn", "O" ]

16

A8B5C3

Li5Mn3O8

Li5 Mn3 O8

3

[ 1, 1, 1 ]

3

[ [ 5.08136385, -0.02879971, -2.92620917 ], [ -1.65797422, 4.78949138, 2.92620916 ], [ 3e-8, -3e-8, 5.85241947 ] ]

mp-1174492

[ [ 1.71169483, 2.38034582, 2.92620973 ], [ 2.540681925, -0.014399855, -1.463104585 ], [ 2.54068194, -0.01439987, 1.46310515 ], [ 1.711694815, 2.380345835, -4.999999969612645e-9 ], [ -0.82898711, 2.39474569, 1.46310458 ], [ 0, 0, 0 ], [ -0.828987095, 2.3947456750000002, 4.389314315 ], [ 1.5e-8, -1.5e-8, 2.926209735 ], [ -0.11770464795533465, 3.5845741767323553, 5.771073254762893 ], [ 0.7573726058583555, 1.0566850468664521, 1.4631048942674072 ], [ 0.7956259629599461, 1.1693261098063916, 4.389314624297613 ], [ -0.11770466212136226, 3.584574190898383, 3.0075553968029802 ], [ 3.5410943079553343, 1.1761174632676448, 0.08134620523710745 ], [ 2.6660170541416446, 3.7040065931335477, 4.389314565732592 ], [ 2.627763697040053, 3.5913655301936087, 1.4631048357023868 ], [ 3.541094322121362, 1.176117449101617, 2.8448640631970195 ] ]

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

[ "Li", "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-11 04:27:57

[ 0.3125, 0.1875, 0.5 ]

[ [ 8.37030621, 0.63139412, 9.2e-7 ], [ 0.63139412, 6.76492375, -5.2e-7 ], [ 9.2e-7, -5.2e-7, 6.54635607 ] ]

-99.887571

[ -0.005, 0.002, 0.008, -0.002, 0.008, 3.435, 3.549, 3.508, -0.061, -0.088, -0.086, -0.072, -0.061, -0.088, -0.086, -0.072 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01707812, -0.01426389, 0.01367014 ], [ -0.02482355, 0.0081108, 0 ], [ 0.04569913, 0.01581962, 0 ], [ -0.01707812, -0.01426389, -0.01367015 ], [ 0.01707812, 0.01426389, -0.01367014 ], [ 0.02482355, -0.0081108, 0 ], [ -0.04569913, -0.01581962, 0 ], [ 0.01707812, 0.01426389, 0.01367015 ] ]

9.889

3.082352

pbe

true

a230f1bae797a3a9c0eb49924df3702b_166_Li5Mn3O8

[ "Ag", "Sm", "Tl" ]

11

A8B2C

Ag2Sm8Tl

Sm8 Tl1 Ag2

3

[ 1, 1, 1 ]

3

[ [ 5.15163548, 0, 0 ], [ 0, 7.94759684, -0.03962822 ], [ -2.57581774, -3.43862564, 8.08353245 ] ]

agm003530091

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

[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Tl", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.7272727272727273, 0.09090909090909091 ]

[ [ 1.3494998, 0, 0 ], [ 0, 1.5177472, 0.04482476 ], [ 0, 0.04482478, 1.4344947 ] ]

-47.281408

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

[ [ 0, 0.00182675, 0.00313025 ], [ 0, 0.00339058, -0.00009961 ], [ 0, 0.00203548, 0.0005405 ], [ 0, 0.00126884, -0.00233105 ], [ 0, -0.00203548, -0.0005405 ], [ 0, -0.00339058, 0.00009961 ], [ 0, -0.00182675, -0.00313025 ], [ 0, -0.00126884, 0.00233105 ], [ 0, 0, 0 ], [ 0, 0.00424994, 0.00051513 ], [ 0, -0.00424994, -0.00051513 ] ]

-0.00009

12.091422

pbe

true

31fb962900467e9d03badb4df2ade2f0_12_Sm8Tl1Ag2

[ "F", "Rb", "S" ]

4

A2BC

F2RbS

Rb1 S1 F2

3

[ 1, 1, 1 ]

3

[ [ 2.45060747, 0, 6.417344 ], [ -1.22530373, 2.12228832, 6.417344 ], [ -1.22530373, -2.12228832, 6.417344 ] ]

agm002763399

[ [ 0, 0, 0 ], [ 4.999999969612645e-9, 0, 9.626016 ], [ 9.023950548367634e-9, -7.126549222641643e-17, 17.3729383792416 ], [ 9.760494942556054e-10, -8.607051907802088e-18, 1.8790936207584 ] ]

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

[ "S", "Rb", "F", "F" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 8.075941, 0, 0 ], [ 0, 8.075941, 0 ], [ 0, 0, 1.4374691 ] ]

-14.878162

[ 0.556, 0, 0.053, 0.053 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00059999 ], [ 0, 0, 0.00059999 ] ]

1.000001

1.554199

pbe

true

a3a68984b162fe2732f998ea599bd919_166_Rb1S1F2

[ "Hf", "K", "Se" ]

5

A2B2C

Hf2KSe2

K1 Hf2 Se2

3

[ 1, 1, 1 ]

3

[ [ 4.15641464, 0, 0 ], [ 0, 4.15641464, 0 ], [ 2.07820732, 2.07820732, 7.42456854 ] ]

agm002927937

[ [ 0, 0, 0 ], [ 4.15641464, 2.07820732, 3.71228427 ], [ 2.07820732, 4.15641464, 3.71228427 ], [ 2.07820732, 2.07820732, 1.8832986823660165 ], [ 4.15641464, 4.15641464, 5.541269857633984 ] ]

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

[ "K", "Hf", "Hf", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 0.8691268, 0, 0 ], [ 0, 0.8691268, 0 ], [ 0, 0, 0.41673502 ] ]

-31.869665

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00993602 ], [ 0, 0, -0.00993602 ] ]

0

4.682314

pbe

true

c594443668d817db969a017ca8c1e42c_139_K1Hf2Se2

[ "As", "Sm", "Zn" ]

10

A2B2C

As2SmZn2

Sm2 Zn4 As4

3

[ 1, 1, 1 ]

3

[ [ 4.84413502, 0, 0 ], [ 0, 4.84413502, 0 ], [ 0, 0, 8.8118511 ] ]

agm002325965

[ [ 1.211033755, 1.211033755, 5.398214267764773 ], [ 3.6331012650000005, 3.6331012650000005, 3.4136368322352273 ], [ 3.6331012650000005, 1.211033755, 0 ], [ 1.211033755, 3.6331012650000005, 0 ], [ 1.211033755, 1.211033755, 7.853380416268296 ], [ 3.6331012650000005, 3.6331012650000005, 0.9584706837317041 ], [ 3.6331012650000005, 1.211033755, 4.40592555 ], [ 1.211033755, 3.6331012650000005, 4.40592555 ], [ 3.6331012650000005, 3.6331012650000005, 6.726579143936067 ], [ 1.211033755, 1.211033755, 2.085271956063933 ] ]

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

[ "As", "As", "As", "As", "Zn", "Zn", "Zn", "Zn", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 1.459029, 0, 0 ], [ 0, 1.459029, 0 ], [ 0, 0, 1.5283325 ] ]

-37.092341

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

[ [ 0, 0, -0.00354777 ], [ 0, 0, 0.00354777 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00057189 ], [ 0, 0, -0.00057189 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00313745 ], [ 0, 0, 0.00313745 ] ]

-0.000003

4.660201

pbe

true

9cf0436ffa05c4d264cff8b8a9b4272a_129_Sm2Zn4As4

[ "Hg", "In", "Rb" ]

8

A6BC

Hg6InRb

Rb1 In1 Hg6

3

[ 1, 1, 1 ]

3

[ [ 5.01084322, 0, 0 ], [ 0, 5.01084322, 0 ], [ 0, 0, 10.08513239 ] ]

agm003771231

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

[ "Rb", "In", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.75, 0.125, 0.125 ]

[ [ 4.279314, 0, 0 ], [ 0, 4.279314, 0 ], [ 0, 0, 4.5258374 ] ]

-6.381694

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-0

3.249644

pbe

true

c721647b915f9b8367fa771299ee1773_123_Rb1In1Hg6

[ "Ho", "Li", "S" ]

10

A5B4C

HoLi5S4

Li5 Ho1 S4

3

[ 1, 1, 1 ]

3

[ [ 3.7772504, 0, -0.96256696 ], [ -0.81471667, 6.26398619, -3.19706765 ], [ -0.01187326, 0.00208246, 7.84593437 ] ]

agm006124111

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

[ "Li", "Li", "Li", "Li", "Li", "Ho", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.1, 0.5, 0.4 ]

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-45.734732

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

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-0

0

pbe

true

b36fd6beb13e9c7499521ef43dc61d80_71_Li5Ho1S4

[ "Ho", "Sm", "Tb" ]

10

A5B4C

HoSm5Tb4

Tb4 Sm5 Ho1

3

[ 1, 1, 1 ]

3

[ [ 6.01110609, 0, 0 ], [ 3.00555305, 7.49196409, -4.4e-7 ], [ 3.00555305, 4.4e-7, 7.49196409 ] ]

agm003651999

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

[ "Tb", "Tb", "Tb", "Tb", "Sm", "Sm", "Sm", "Sm", "Sm", "Ho" ]

2023-11-16 06:57:59

[ 0.1, 0.5, 0.4 ]

[ [ 1.2386644, 0, 0 ], [ 0, 1.1976033, 0 ], [ 0, 0, 1.1976033 ] ]

-44.105791

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

[ [ 0.00034245, -0.00234947, 0.00234947 ], [ 0.00034245, 0.00234947, 0.00234947 ], [ 0.00034245, -0.00234947, -0.00234947 ], [ 0.00034245, 0.00234947, -0.00234947 ], [ -0.00254271, 0.00094473, 0 ], [ -0.00254271, 0, -0.00094473 ], [ -0.00254271, 0, 0.00094473 ], [ -0.00254271, -0.00094473, 0 ], [ 0.00330329, 0, 0 ], [ 0.00549773, 0, 0 ] ]

0.000264

14.263264

pbe

true

1c325a961831305e3a06a07a497b48b3_107_Tb4Sm5Ho1

[ "Ir", "Mo", "Nb" ]

10

A2B2C

Ir2MoNb2

Nb4 Mo2 Ir4

3

[ 1, 1, 1 ]

3

[ [ 7.57066015, 0, 0 ], [ 0, 7.57066015, 0 ], [ 0, 0, 2.94643884 ] ]

agm003002850

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

[ "Mo", "Mo", "Ir", "Ir", "Ir", "Ir", "Nb", "Nb", "Nb", "Nb" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 7.892031, 0, 0 ], [ 0, 7.892031, 0 ], [ 0, 0, 12.841979 ] ]

-99.221446

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00894196, -0.00894196, 0 ], [ -0.00894196, 0.00894196, 0 ], [ 0.00894196, 0.00894196, 0 ], [ 0.00894196, -0.00894196, 0 ], [ 0.01773611, 0.01773611, 0 ], [ 0.01773611, -0.01773611, 0 ], [ -0.01773611, -0.01773611, 0 ], [ -0.01773611, 0.01773611, 0 ] ]

0

9.999478

pbe

true

78c28fd439511c7b341ccc6a7f7ac2aa_127_Nb4Mo2Ir4

[ "Li", "Pb", "Sc" ]

6

A4BC

Li4PbSc

Li4 Sc1 Pb1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.85505199, 3.85505199 ], [ 3.85505199, 0, 3.85505199 ], [ 3.85505199, 3.85505199, 0 ] ]

agm005452494

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

[ "Li", "Li", "Li", "Li", "Sc", "Pb" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 2.1991518, 0, 0 ], [ 0, 2.1991518, 0 ], [ 0, 0, 2.1991518 ] ]

-18.067531

[ 0.008, 0.008, 0.008, 0.008, 0.318, -0.005 ]

[ [ -0.00134018, 0.00134018, 0.00134018 ], [ 0.00134018, 0.00134018, -0.00134018 ], [ 0.00134018, -0.00134018, 0.00134018 ], [ -0.00134018, -0.00134018, -0.00134018 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.577855

4.054682

pbe

true

8c062f0ce04652bd2762a194c3495454_216_Li4Sc1Pb1

[ "Mg", "Pb", "Pu" ]

20

A15B4C

Mg15Pb4Pu

Pu1 Mg15 Pb4

3

[ 1, 1, 1 ]

3

[ [ 4.68789749, 0, 1e-8 ], [ 0, 4.68785549, 0 ], [ -9.9e-7, 0, 22.26858906 ] ]

agm006041124

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

[ "Pu", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.75, 0.2, 0.05 ]

[ [ 2.2723718, 0, -9e-8 ], [ 0, 2.272331, 0 ], [ -9e-8, 0, 2.1895568 ] ]

-53.017764

[ 5.543, 0.009, 0.001, -0.002, -0.002, 0.001, 0.005, -0.001, -0.003, -0.001, 0.005, 0.005, -0.001, -0.003, -0.001, 0.005, -0.014, -0.003, -0.003, -0.014 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00286304 ], [ 0, 0, -0.02983354 ], [ 0, 0, 0.02983354 ], [ 0, 0, -0.00286304 ], [ 0, 0, 0.02026727 ], [ 0, 0, 0.00991662 ], [ 0, 0, 0 ], [ 0, 0, -0.00991662 ], [ 0, 0, -0.02026727 ], [ 0, 0, 0.02026727 ], [ 0, 0, 0.00991662 ], [ 0, 0, 0 ], [ 0, 0, -0.00991662 ], [ 0, 0, -0.02026727 ], [ 0, 0, 0.00134762 ], [ 0, 0, -0.00316866 ], [ 0, 0, 0.00316866 ], [ 0, 0, -0.00134762 ] ]

6.03861

20.974081

pbe

true

daead0f6a7bddca8e0525ca46587509f_123_Pu1Mg15Pb4

[ "Mg", "Tb", "Tm" ]

20

A15B4C

MgTb4Tm15

Tb4 Tm15 Mg1

3

[ 1, 1, 1 ]

3

[ [ 4.93385573, 0, 0 ], [ 0, 4.93385573, 0 ], [ 0, 0, 24.7220109 ] ]

agm006041439

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

[ "Tb", "Tb", "Tb", "Tb", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Mg" ]

2023-11-16 06:57:59

[ 0.05, 0.2, 0.75 ]

[ [ 0.1570483, 0, 0 ], [ 0, 0.1570483, 0 ], [ 0, 0, 0.1866423 ] ]

-86.699973

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

[ [ 0, 0, 0.0005972 ], [ 0, 0, 0.00052507 ], [ 0, 0, -0.00052507 ], [ 0, 0, -0.0005972 ], [ 0, 0, 0 ], [ 0, 0, -0.00275288 ], [ 0, 0, 0.00252915 ], [ 0, 0, -0.00252915 ], [ 0, 0, 0.00275288 ], [ 0, 0, 0.00100394 ], [ 0, 0, 0.00097727 ], [ 0, 0, 0 ], [ 0, 0, -0.00097727 ], [ 0, 0, -0.00100394 ], [ 0, 0, 0.00100394 ], [ 0, 0, 0.00097727 ], [ 0, 0, 0 ], [ 0, 0, -0.00097727 ], [ 0, 0, -0.00100394 ], [ 0, 0, 0 ] ]

0.000001

25.628216

pbe

true

90932e1d26954f4e4cfe32f4c14876a4_123_Tb4Tm15Mg1

[ "Dy", "Ge", "H" ]

12

ABC

DyGeH

Dy4 Ge4 H4

3

[ 1, 1, 1 ]

3

[ [ 3.75252811, 0, 0 ], [ 0, 7.45051825, -1e-7 ], [ 0, 1e-7, 7.45051825 ] ]

agm001000475

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

[ "H", "H", "H", "H", "Ge", "Ge", "Ge", "Ge", "Dy", "Dy", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.9591649, 0, 0 ], [ 0, 3.5024865, 3e-8 ], [ 0, -3e-8, 3.5024865 ] ]

-54.964215

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

[ [ 0, 0.00361478, -0.00264917 ], [ 0, 0.00264917, 0.00361478 ], [ 0, -0.00264917, -0.00361478 ], [ 0, -0.00361478, 0.00264917 ], [ 0, 0.00142942, -0.00256023 ], [ 0, -0.00142942, 0.00256023 ], [ 0, -0.00256023, -0.00142942 ], [ 0, 0.00256023, 0.00142942 ], [ 0, -0.00476782, -0.00065229 ], [ 0, 0.00065229, -0.00476782 ], [ 0, -0.00065229, 0.00476782 ], [ 0, 0.00476782, 0.00065229 ] ]

-0.000018

4.987121

pbe

true

55f4275120b09014f5dc6ffe8354ef10_84_Dy4Ge4H4

[ "Hg", "Sb", "Zn" ]

4

A2BC

HgSb2Zn

Zn1 Hg1 Sb2

3

[ 1, 1, 1 ]

3

[ [ 3.49609942, 0, 0 ], [ 0, 3.6780819, 0 ], [ 0, 0, 8.33783165 ] ]

agm003910531

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

[ "Hg", "Sb", "Sb", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 8.021562, 0, 0 ], [ 0, -1.1827649, 0 ], [ 0, 0, 1.9335909 ] ]

-9.220113

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.02894824 ], [ 0, 0, -0.02894824 ], [ 0, 0, 0 ] ]

0

1.376976

pbe

true

006b43530f8bb15627be4fe881587deb_47_Zn1Hg1Sb2

[ "Ba", "Dy", "Tc" ]

5

A3BC

BaDy3Tc

Ba1 Dy3 Tc1

3

[ 1, 1, 1 ]

3

[ [ 5.54092433, 0, 0 ], [ 0, 5.54092433, 0 ], [ 0, 0, 5.54092433 ] ]

agm001110615

[ [ 0, 0, 0 ], [ 2.770462165, 2.770462165, 2.770462165 ], [ 0, 2.770462165, 0 ], [ 0, 0, 2.770462165 ], [ 2.770462165, 0, 0 ] ]

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

[ "Tc", "Ba", "Dy", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.9335417, 0, 0 ], [ 0, 0.9335417, 0 ], [ 0, 0, 0.9335417 ] ]

-25.689895

[ 0, 0, 0, 0, 0 ]

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

-0.000015

4.34856

pbe

true

963816e4e2c222470bb62e83785e9f8f_221_Ba1Dy3Tc1

[ "Cd", "Pa" ]

4

A3B

CdPa3

Pa3 Cd1

2

[ 1, 1, 1 ]

3

[ [ 4.60978002, 0, 0 ], [ 0, 4.60978002, 0 ], [ -2.30489001, -2.30489001, 4.61675975 ] ]

agm001280634

[ [ 2.3048900100000003, 0, 2.308379875 ], [ 0, 2.3048900100000003, 2.308379875 ], [ 2.30489001, 2.30489001, 0 ], [ 0, 0, 0 ] ]

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

[ "Pa", "Pa", "Pa", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 1.8776729, 0, 0 ], [ 0, 1.8776729, 0 ], [ 0, 0, 2.420552 ] ]

-28.698183

[ 0, 0, 0, 0 ]

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

0.000026

9.368059

pbe

true

f287c32503d62b4edbc912d6fb7e12d7_139_Pa3Cd1

[ "O", "Pd", "Rb" ]

4

A2BC

O2PdRb

Rb1 Pd1 O2

3

[ 1, 1, 1 ]

3

[ [ 2.01977052, 0, 7.32724061 ], [ -1.00988526, 1.74917258, 7.32724061 ], [ -1.00988526, -1.74917258, 7.32724061 ] ]

agm002776207

[ [ 5.1518189356954735e-17, 2.562164623014951e-18, 20.146833870081768 ], [ 3.992961874303092e-18, -2.562164623014951e-18, 1.8348879599182304 ], [ 0, 0, 10.990860914999999 ], [ 0, 0, 0 ] ]

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

[ "O", "O", "Rb", "Pd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 34.000122, 0, 0 ], [ 0, 34.000122, 0 ], [ 0, 0, 25.950603 ] ]

-17.498666

[ 0.535, 0.535, 0.022, 0.772 ]

[ [ 0, 0, 0.02102902 ], [ 0, 0, -0.02102902 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.135955

1.004193

pbe

true

2fc10e30db9074210a3ffc3dd199c2a6_166_Rb1Pd1O2

[ "Os", "Ta", "W" ]

4

A2BC

OsTaW2

Ta1 Os1 W2

3

[ 1, 1, 1 ]

3

[ [ 9.72015122, 0.00691221, 0.00404811 ], [ 9.31200625, 2.78710013, 0.00404811 ], [ 9.31200625, 1.36704734, 2.42881145 ] ]

agm003854360

[ [ 7.08604093, 1.0402649199999998, 0.6092269175 ], [ 21.25812279, 3.12079476, 1.8276807525 ], [ 28.198530839923368, 4.1396800721429665, 2.424386789653387 ], [ 14.317714740076633, 2.1019094478570333, 1.2309747153466133 ] ]

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

[ "Os", "Ta", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 11.701461, 0.02352935, 0.01377987 ], [ 0.02352935, 11.544639, 0.00202295 ], [ 0.01377987, 0.00202295, 11.542369 ] ]

-47.959144

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00415907, 0.00061057, 0.00035758 ], [ -0.00415907, -0.00061057, -0.00035758 ] ]

-0.000011

2.870426

pbe

true

f1a170ab5e72b6edc93b6dc11a18f484_166_Ta1Os1W2

[ "Rb", "Se", "Zn" ]

5

A2B2C

Rb2Se2Zn

Rb2 Zn1 Se2

3

[ 1, 1, 1 ]

3

[ [ 4.93624083, 0.16718199, 0 ], [ -0.16631531, 4.94060007, 0 ], [ 0, 0, 20.03060765 ] ]

agm2000061418

[ [ 3.2521237883467977, 1.6853921438669621, 12.530607720045603 ], [ 3.2521237900099504, 1.6853920944609615, 7.499999929954398 ], [ 0.7001583397146806, 4.069372511996492, 10.015303624693924 ], [ 0.7009176113769858, 4.072635882880893, 12.275478871937935 ], [ 0.7009176624025474, 4.072635835146712, 7.755128978368141 ] ]

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

[ "Rb", "Rb", "Zn", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 0.21160819, -0.00922184, 0 ], [ -0.00922184, 0.1565774, 0 ], [ 0, 0, -0.0117434 ] ]

-14.690915

[ 0, 0, 0, 0, 0 ]

[ [ -0.00012854, 0.00172066, -0.00100123 ], [ -0.00012854, 0.00172066, 0.00100123 ], [ 0.00166818, -0.00025012, 0 ], [ -0.00070555, -0.0015956, 0.00163579 ], [ -0.00070555, -0.0015956, -0.00163579 ] ]

0.000001

0

pbe

true

a4d0de8a9e3bfe2fbb03404c43f6b3b2_123_Rb2Zn1Se2

[ "Be", "Mo" ]

4

A3B

BeMo3

Be1 Mo3

2

[ 1, 1, 1 ]

3

[ [ 9.11101302, 0.00690694, 0.00405043 ], [ 8.69321053, 2.7273974, 0.00405043 ], [ 8.69321053, 1.33506992, 2.37829798 ] ]

agm003881006

[ [ 0, 0, 0 ], [ 19.67981334484543, 3.022350225509779, 1.7723936436925993 ], [ 13.248717039999999, 2.03468713, 1.19319942 ], [ 6.81762073515457, 1.0470240344902213, 0.6140051963074008 ] ]

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

[ "Be", "Mo", "Mo", "Mo" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 0.8295136, 0.06304662, 0.03697236 ], [ 0.06304662, 0.4286726, 0.00567807 ], [ 0.03697236, 0.00567807, 0.42231995 ] ]

-34.665369

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.00432072, -0.00066356, -0.00038913 ], [ 0, 0, 0 ], [ 0.00432072, 0.00066356, 0.00038913 ] ]

0.000057

3.729132

pbe

true

43ae45f0183c5b37731d166b5656110b_166_Be1Mo3

[ "Cd", "P", "S", "Zn" ]

5

A2BCD

CdPS2Zn

Zn1 Cd1 P1 S2

4

[ 1, 1, 1 ]

3

[ [ 5.00204926, 0, 0 ], [ 0, 5.00204926, 0 ], [ 0, 0, 5.03376164 ] ]

agm001778745

[ [ 0, 0, 2.51688082 ], [ 2.50102463, 2.50102463, 2.51688082 ], [ 0, 2.50102463, 0 ], [ 2.50102463, 0, 0 ], [ 0, 0, 0 ] ]

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

[ "P", "Zn", "S", "S", "Cd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 1.8744599, 0, 0 ], [ 0, 1.8744599, 0 ], [ 0, 0, 2.0123243 ] ]

-10.945437

[ 0.502, -0.021, 0.119, 0.119, 0.019 ]

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

1.456582

5.014799

pbe

true

8c853618e3349866d402c105870f7d01_123_Zn1Cd1P1S2

[ "Sc", "Tb" ]

7

A4B3

Sc4Tb3

Tb3 Sc4

2

[ 1, 1, 1 ]

3

[ [ 4.59126212, 6.4e-7, -1.52464872 ], [ -0.41202766, 7.49334403, -1.24076695 ], [ -0.62926071, 0.11732811, 5.780364 ] ]

agm005533748

[ [ 0, 0, 0 ], [ 2.249072577987747, 5.378158095244369, -0.9025235498670051 ], [ 1.3009011720122532, 2.2325146847556314, 3.9174718798670045 ], [ 3.2496261337511694, 4.327648427010206, 2.1104953746911788 ], [ 0.30034761624883033, 3.2830243529897953, 0.9044529553088204 ], [ 2.9457516982047784, 1.1597112028276675, 1.1954218433707933 ], [ 0.6042220517952215, 6.450961577172333, 1.8195264866292062 ] ]

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

[ "Tb", "Tb", "Tb", "Sc", "Sc", "Sc", "Sc" ]

2023-11-16 06:57:59

[ 0.5714285714285714, 0.42857142857142855 ]

[ [ 1.9903944, -0.00806623, 0.05384619 ], [ -0.00806622, 1.9515173, -0.02429208 ], [ 0.05384619, -0.0242921, 2.1346648 ] ]

-38.837286

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

[ [ 0, 0, 0 ], [ -0.00028041, 0.00084408, -0.00084443 ], [ 0.00028041, -0.00084408, 0.00084443 ], [ -0.00074606, -0.00105495, -0.00224666 ], [ 0.00074606, 0.00105495, 0.00224666 ], [ 0.00094014, -0.00009192, 0.00283109 ], [ -0.00094014, 0.00009192, -0.00283109 ] ]

0.000001

11.539022

pbe

true

7173e0424d6e50050f599f547bb69d56_12_Tb3Sc4

[ "Al", "Ho", "Mg" ]

6

A3B2C

Al3Ho2Mg

Ho2 Mg1 Al3

3

[ 1, 1, 1 ]

3

[ [ 3.63176988, 3e-8, -0.96670966 ], [ -0.33565621, 4.43709692, -1.26100684 ], [ 0.34273299, 0.05757554, 8.59293074 ] ]

agm005826249

[ [ 0.5662628216431544, 0.6474239803921219, 2.1273497055706954 ], [ 3.239046993830411, 1.6271398000650164, 4.86323275646957 ], [ 1.6733621307277435, 4.3236308718218694, 6.28655513201575 ], [ 2.434435275408133, 3.1176366138361464, 1.8404299139910756 ], [ 1.8121514324378258, 2.406162276625279, -0.49738155342616164 ], [ 1.0234528816470718, 3.5805723302597827, 3.844944838377638 ] ]

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

[ "Ho", "Ho", "Mg", "Al", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ [ 0.25396776, -0.01087237, -0.04164292 ], [ -0.01087237, 0.22881527, -0.04084579 ], [ -0.04164292, -0.04084579, 0.10860672 ] ]

-23.469642

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

[ [ 0.00114642, 0.00131074, 0.00430693 ], [ 0.00028302, 0.00032359, 0.00106327 ], [ -0.00198989, -0.0022751, -0.0074757 ], [ 0.00050952, 0.00058254, 0.00191417 ], [ 0.00064318, 0.00073537, 0.00241634 ], [ -0.00059225, -0.00067714, -0.002225 ] ]

-0

3.573927

pbe

true

76f7b9a411e1be8bad59a6224bf02d03_44_Ho2Mg1Al3

[ "Ag", "Dy", "Pm" ]

4

A2BC

AgDyPm2

Pm2 Dy1 Ag1

3

[ 1, 1, 1 ]

3

[ [ 3.66539696, 0, 0 ], [ 0, 3.66539696, 0 ], [ 0, 0, 8.8387377 ] ]

agm001134771

[ [ 0, 0, 6.90938736442418 ], [ 0, 0, 1.929350335575819 ], [ 1.83269848, 1.83269848, 0 ], [ 1.83269848, 1.83269848, 4.41936885 ] ]

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

[ "Pm", "Pm", "Ag", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4739859, 0, 0 ], [ 0, 1.4739859, 0 ], [ 0, 0, 2.0942032 ] ]

-17.370665

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.0018405 ], [ 0, 0, 0.0018405 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000243

6.163829

pbe

true

712cc8c36b31bc36b8274a94e2c2b7ac_123_Pm2Dy1Ag1

[ "Ag", "H", "Re" ]

8

A2BC

Ag2HRe

Re2 Ag4 H2

3

[ 1, 1, 1 ]

3

[ [ 5.88066266, 0, 0 ], [ 0, 5.88066266, 0 ], [ 2.94033133, 2.94033133, 3.21937981 ] ]

agm002839682

[ [ 0, 0, 0 ], [ 5.88066266, 2.94033133, 1.609689905 ], [ 3.707130340424178, 1.470165665, 0.8048449525 ], [ 2.173532319575822, 4.410496995, 0.8048449525 ], [ 4.410496995, 5.113863649575822, 2.4145348575 ], [ 7.350828324999999, 6.647461670424177, 2.4145348575 ], [ 2.94033133, 2.94033133, 0 ], [ 2.94033133, 5.88066266, 1.609689905 ] ]

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

[ "Re", "Re", "Ag", "Ag", "Ag", "Ag", "H", "H" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 9.095481, 0, 0 ], [ 0, 9.095481, 0 ], [ 0, 0, 12.939586 ] ]

-33.870709

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02400624, 0, 0 ], [ 0.02400624, 0, 0 ], [ 0, 0.02400624, 0 ], [ 0, -0.02400624, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

2.418637

pbe

true

634e8df163a5b5972f1ba3e9507c289d_122_Re2Ag4H2

[ "Ag", "Mn", "Tc" ]

4

A2BC

AgMnTc2

Mn1 Tc2 Ag1

3

[ 1, 1, 1 ]

3

[ [ 9.27813672, 0.00545391, 0.00319758 ], [ 8.85850002, 2.75877294, 0.00319758 ], [ 8.85850002, 1.35013475, 2.40582096 ] ]

agm003855266

[ [ 13.455827149784849, 2.050818968376, 1.2023781708244499 ], [ 20.148239555299885, 3.0708176761956483, 1.8003949628783436 ], [ 26.955246046409744, 4.10828180786368, 2.4086515882394757 ], [ 6.928529148505518, 1.055985547564672, 0.6191155780577303 ] ]

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

[ "Ag", "Mn", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 6.9256587, 0.10242737, 0.06005232 ], [ 0.10242737, 6.2692237, 0.00915265 ], [ 0.06005232, 0.00915265, 6.258979 ] ]

-31.770863

[ 0.014, 3.459, 0.054, 0.096 ]

[ [ -0.0047249, -0.00072013, -0.0004222 ], [ 0.00307589, 0.0004688, 0.00027485 ], [ 0.00562092, 0.00085669, 0.00050227 ], [ -0.00397192, -0.00060536, -0.00035492 ] ]

3.777295

2.898455

pbe

true

3759a00b72bf5b47b161b647ef65ee47_160_Mn1Tc2Ag1

[ "Ag", "Re", "Tl" ]

4

A2BC

Ag2ReTl

Tl1 Re1 Ag2

3

[ 1, 1, 1 ]

3

[ [ 10.06451677, -0.00804217, -0.00471015 ], [ 9.63573701, 2.90639547, -0.00471015 ], [ 9.63573701, 1.41763505, 2.53721653 ] ]

agm003928355

[ [ 14.797089595911025, 2.176986854373709, 1.2750217834219641 ], [ 22.084939726379, 3.249194590079975, 1.902994440506438 ], [ 29.181029579209888, 4.293190047898678, 2.514443677252233 ], [ 7.276917780140173, 1.0705993394877544, 0.627030648541402 ] ]

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

[ "Re", "Tl", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 8.159797, 0.03831638, 0.02244121 ], [ 0.03831638, 7.9049954, 0.00330161 ], [ 0.02244121, 0.00330161, 7.901292 ] ]

-18.063659

[ 0, 0, 0, 0 ]

[ [ -0.00185437, -0.00027282, -0.00015979 ], [ 0.00282233, 0.00041523, 0.00024319 ], [ -0.00152319, -0.0002241, -0.00013125 ], [ 0.00055523, 0.00008169, 0.00004784 ] ]

0.00003

1.957247

pbe

true

42eaba32462ea544a6a9ad0f5471f91b_160_Tl1Re1Ag2

[ "As", "Au", "Mo" ]

4

A2BC

AsAuMo2

Mo2 As1 Au1

3

[ 1, 1, 1 ]

3

[ [ 5.12070722, 0.02082164, -0.026449 ], [ -2.16513693, 4.64050192, -0.026449 ], [ 0.38455402, 0.60649233, 2.75683611 ] ]

agm004172307

[ [ 0, 0, 0 ], [ 1.477785145, 2.3306617800000002, -0.026449 ], [ -0.8902914550000001, 2.623497125, 1.365193555 ], [ 2.75263062, 0.313656985, 1.365193555 ] ]

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

[ "Mo", "Mo", "Au", "As" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 6.1204305, 0.35195747, -0.07959592 ], [ 0.35195747, 6.4523506, -0.12553325 ], [ -0.07959568, -0.12553288, 5.9388094 ] ]

-28.137798

[ 0, 0, 0, 0 ]

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

0

3.243268

pbe

true

e753b80c1801cfe0ffdf99d43f329aa1_12_Mo2As1Au1

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

20

A3BC

CrO3Sc

Sc4 Cr4 O12

3

[ 1, 1, 1 ]

3

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agm005796226

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