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{
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"results": [
{
"id": "mp-862983",
"created_at": "2022-09-04T14:45:53.402164Z",
"structure_string": "In2 Cl6\n1.0\n4.822481 -8.352782 0.000000\n4.822481 8.352782 0.000000\n0.000000 0.000000 3.434286\nIn Cl\n2 6\ndirect\n0.666667 0.333333 0.250000 In\n0.333333 0.666667 0.750000 In\n0.781984 0.218016 0.750000 Cl\n0.436032 0.218016 0.750000 Cl\n0.781984 0.563968 0.750000 Cl\n0.218016 0.781984 0.250000 Cl\n0.563968 0.781984 0.250000 Cl\n0.218016 0.436032 0.250000 Cl\n",
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{
"id": "mp-21042",
"created_at": "2022-09-04T14:42:29.169678Z",
"structure_string": "Te4 Pt3\n1.0\n2.683074 6.440983 0.000000\n-2.683074 6.440983 0.000000\n0.000000 1.298112 7.004379\nTe Pt\n4 3\ndirect\n0.440388 0.440388 0.679708 Te\n0.559612 0.559612 0.320292 Te\n0.201593 0.201593 0.985997 Te\n0.798407 0.798407 0.014003 Te\n0.067321 0.067321 0.331821 Pt\n0.932679 0.932679 0.668179 Pt\n0.000000 0.000000 0.000000 Pt\n",
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"spacegroup": 12
},
{
"id": "mp-1208645",
"created_at": "2022-09-04T14:47:28.565534Z",
"structure_string": "Sr4 Zn4 Cl8\n1.0\n9.204567 0.000000 0.000000\n0.000000 9.204567 0.000000\n-4.602284 -4.602284 6.531614\nSr Zn Cl\n4 4 8\ndirect\n0.625000 0.875000 0.250000 Sr\n0.625000 0.375000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.125000 0.375000 0.750000 Sr\n0.125000 0.375000 0.250000 Zn\n0.125000 0.875000 0.250000 Zn\n0.125000 0.875000 0.750000 Zn\n0.625000 0.875000 0.750000 Zn\n0.449230 0.150458 0.301416 Cl\n0.852186 0.150958 0.301416 Cl\n0.400958 0.199230 0.801416 Cl\n0.800770 0.599542 0.198584 Cl\n0.400458 0.602186 0.801416 Cl\n0.397814 0.599042 0.198584 Cl\n0.849042 0.550770 0.698584 Cl\n0.849542 0.147814 0.698584 Cl\n",
"nsites": 16,
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"elements": [
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"Zn",
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"chemical_system": "Cl-Sr-Zn",
"density": 2.687842570273887,
"density_atomic": 0.028912972611701202,
"volume": 553.3848150060064,
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"formula_full": "Sr4 Zn4 Cl8",
"formula_reduced": "SrZnCl2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:03.529000Z",
"spacegroup": 227
},
{
"id": "mp-1077942",
"created_at": "2022-09-04T14:45:42.311404Z",
"structure_string": "Rb2 Te1 Se4\n1.0\n4.410969 5.639068 0.000000\n-4.410969 5.639068 0.000000\n0.000000 2.366647 4.866735\nRb Te Se\n2 1 4\ndirect\n0.320641 0.320641 0.344038 Rb\n0.679359 0.679359 0.655962 Rb\n0.000000 0.000000 0.000000 Te\n0.847967 0.312213 0.263095 Se\n0.312213 0.847967 0.263095 Se\n0.152033 0.687787 0.736905 Se\n0.687787 0.152033 0.736905 Se\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.2138010290749985,
"density_atomic": 0.02891272384245786,
"volume": 242.10793967881418,
"volume_molar": 20.82868702656297,
"formula_full": "Rb2 Te1 Se4",
"formula_reduced": "Rb2TeSe4",
"formula_anonymous": "AB2C4",
"energy": -25.359373490000003,
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"updated_at": "2021-11-28T01:37:19.332000Z",
"spacegroup": 12
},
{
"id": "mp-1106137",
"created_at": "2022-09-04T14:43:59.552498Z",
"structure_string": "Eu14 Au6\n1.0\n5.414794 -9.378698 0.000000\n5.414794 9.378698 0.000000\n0.000000 0.000000 6.810955\nEu Au\n14 6\ndirect\n0.666667 0.333333 0.538497 Eu\n0.333333 0.666667 0.038497 Eu\n0.874619 0.749237 0.748378 Eu\n0.250763 0.125381 0.748378 Eu\n0.874619 0.125381 0.748378 Eu\n0.125381 0.250763 0.248378 Eu\n0.749237 0.874619 0.248378 Eu\n0.125381 0.874619 0.248378 Eu\n0.460133 0.920265 0.544212 Eu\n0.079735 0.539867 0.544212 Eu\n0.460133 0.539867 0.544212 Eu\n0.539867 0.079735 0.044212 Eu\n0.920265 0.460133 0.044212 Eu\n0.539867 0.460133 0.044212 Eu\n0.188894 0.377788 0.808728 Au\n0.622212 0.811106 0.808728 Au\n0.188894 0.811106 0.808728 Au\n0.811106 0.622212 0.308728 Au\n0.377788 0.188894 0.308728 Au\n0.811106 0.188894 0.308728 Au\n",
"nsites": 20,
"nelements": 2,
"elements": [
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"chemical_system": "Au-Eu",
"density": 7.943687260168041,
"density_atomic": 0.028911291901172333,
"volume": 691.7712314055746,
"volume_molar": 20.829718646214513,
"formula_full": "Eu14 Au6",
"formula_reduced": "Eu7Au3",
"formula_anonymous": "A3B7",
"energy": -174.37345958000003,
"energy_per_atom": -8.718672979,
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"updated_at": "2021-11-28T01:36:10.260000Z",
"spacegroup": 186
},
{
"id": "mp-570125",
"created_at": "2022-09-04T14:41:01.900769Z",
"structure_string": "Hg8 Te4 Br12\n1.0\n10.282204 0.000000 0.000000\n0.000000 7.857817 0.000000\n0.000000 6.799492 10.274484\nHg Te Br\n8 4 12\ndirect\n0.548660 0.476731 0.840931 Hg\n0.810766 0.001757 0.998382 Hg\n0.689234 0.001757 0.498382 Hg\n0.048660 0.523269 0.659069 Hg\n0.189234 0.998243 0.001618 Hg\n0.310766 0.998243 0.501618 Hg\n0.451340 0.523269 0.159069 Hg\n0.951340 0.476731 0.340931 Hg\n0.929737 0.096337 0.380941 Te\n0.570263 0.096337 0.880941 Te\n0.070263 0.903663 0.619059 Te\n0.429737 0.903663 0.119059 Te\n0.501333 0.256924 0.487898 Br\n0.845551 0.340655 0.636357 Br\n0.761401 0.755939 0.268566 Br\n0.998667 0.256924 0.987898 Br\n0.345551 0.659345 0.863643 Br\n0.738599 0.755939 0.768566 Br\n0.654449 0.340655 0.136357 Br\n0.154449 0.659345 0.363643 Br\n0.238599 0.244061 0.731434 Br\n0.001333 0.743076 0.012102 Br\n0.498667 0.743076 0.512102 Br\n0.261401 0.244061 0.231434 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Te",
"Br"
],
"chemical_system": "Br-Hg-Te",
"density": 6.148940534398734,
"density_atomic": 0.02891099876314822,
"volume": 830.133894599031,
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"formula_full": "Hg8 Te4 Br12",
"formula_reduced": "Hg2TeBr3",
"formula_anonymous": "AB2C3",
"energy": -52.26993263,
"energy_per_atom": -2.177913859583333,
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"updated_at": "2021-11-28T01:35:07.588000Z",
"spacegroup": 14
},
{
"id": "mp-555279",
"created_at": "2022-09-04T14:45:26.868812Z",
"structure_string": "B12 S12 Br12\n1.0\n4.954436 0.000000 0.000000\n0.000000 14.687145 0.000000\n0.000000 8.083232 17.113894\nB S Br\n12 12 12\ndirect\n0.261163 0.824611 0.230966 B\n0.845870 0.247879 0.100297 B\n0.154130 0.752121 0.899703 B\n0.340119 0.612525 0.836059 B\n0.659881 0.387475 0.163941 B\n0.159881 0.612525 0.336059 B\n0.238837 0.824611 0.730966 B\n0.738837 0.175389 0.769034 B\n0.345870 0.752121 0.399703 B\n0.761163 0.175389 0.269034 B\n0.654130 0.247879 0.600297 B\n0.840119 0.387475 0.663941 B\n0.644244 0.294291 0.264227 S\n0.365956 0.860912 0.306647 S\n0.144244 0.705709 0.235773 S\n0.134044 0.860912 0.806647 S\n0.634044 0.139088 0.693353 S\n0.865956 0.139088 0.193353 S\n0.744186 0.376912 0.575767 S\n0.855756 0.294291 0.764227 S\n0.755814 0.376912 0.075767 S\n0.244186 0.623088 0.924233 S\n0.255814 0.623088 0.424233 S\n0.355756 0.705709 0.735773 S\n0.559210 0.222052 0.511621 Br\n0.726441 0.068062 0.873290 Br\n0.946239 0.520975 0.648289 Br\n0.440790 0.777948 0.488379 Br\n0.226441 0.931938 0.626710 Br\n0.940790 0.222052 0.011621 Br\n0.059210 0.777948 0.988379 Br\n0.553761 0.520975 0.148289 Br\n0.053761 0.479025 0.351711 Br\n0.773559 0.068062 0.373290 Br\n0.273559 0.931938 0.126710 Br\n0.446239 0.479025 0.851711 Br\n",
"nsites": 36,
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"elements": [
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"S",
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],
"chemical_system": "B-Br-S",
"density": 1.9646153349341184,
"density_atomic": 0.02890826703937876,
"volume": 1245.3185087491029,
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"formula_full": "B12 S12 Br12",
"formula_reduced": "BSBr",
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"energy": -180.29685841,
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"spacegroup": 14
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{
"id": "mp-12883",
"created_at": "2022-09-04T14:41:02.265157Z",
"structure_string": "P8\n1.0\n4.523025 5.098260 0.000000\n-4.523025 5.098260 0.000000\n0.000000 0.021401 6.000834\nP\n8\ndirect\n0.837502 0.837502 0.755020 P\n0.162498 0.162498 0.244980 P\n0.717865 0.717865 0.450271 P\n0.282135 0.282135 0.549729 P\n0.528690 0.772283 0.747424 P\n0.227717 0.471310 0.252576 P\n0.471310 0.227717 0.252576 P\n0.772283 0.528690 0.747424 P\n",
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"formula_full": "P8",
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"energy": -42.1937442,
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"updated_at": "2021-11-28T01:35:06.741000Z",
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{
"id": "mp-867208",
"created_at": "2022-09-04T14:47:24.435161Z",
"structure_string": "Sr2 Li1 In1\n1.0\n0.000000 4.105354 4.105354\n4.105354 0.000000 4.105354\n4.105354 4.105354 0.000000\nSr Li In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.5638732797516246,
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"volume": 138.3827099137218,
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"formula_full": "Sr2 Li1 In1",
"formula_reduced": "Sr2LiIn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:03.336000Z",
"spacegroup": 225
},
{
"id": "mp-1186333",
"created_at": "2022-09-04T14:41:45.994497Z",
"structure_string": "Nd2 Sm6\n1.0\n3.655924 -6.332247 0.000000\n3.655924 6.332247 0.000000\n0.000000 0.000000 5.977656\nNd Sm\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.166392 0.833608 0.250000 Sm\n0.667215 0.833608 0.250000 Sm\n0.166392 0.332785 0.250000 Sm\n0.833608 0.166392 0.750000 Sm\n0.332785 0.166392 0.750000 Sm\n0.833608 0.667215 0.750000 Sm\n",
"nsites": 8,
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"elements": [
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"volume": 276.76802862128045,
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"formula_full": "Nd2 Sm6",
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{
"id": "mp-1194749",
"created_at": "2022-09-04T14:43:57.880093Z",
"structure_string": "Cs8 Zn4 Ge12 Se32\n1.0\n7.800768 0.000000 0.000000\n0.000000 13.775947 0.000000\n0.000000 0.000000 18.029401\nCs Zn Ge Se\n8 4 12 32\ndirect\n0.751955 0.626660 0.053156 Cs\n0.748045 0.373340 0.553156 Cs\n0.251955 0.873340 0.946844 Cs\n0.248045 0.126660 0.446844 Cs\n0.254330 0.809361 0.347114 Cs\n0.245670 0.190639 0.847114 Cs\n0.754330 0.690639 0.652886 Cs\n0.745670 0.309361 0.152886 Cs\n0.992687 0.497458 0.348228 Zn\n0.507313 0.502542 0.848228 Zn\n0.492687 0.002542 0.651772 Zn\n0.007313 0.997458 0.151772 Zn\n0.764704 0.044802 0.321549 Ge\n0.735296 0.955198 0.821549 Ge\n0.264704 0.455198 0.678451 Ge\n0.235296 0.544802 0.178451 Ge\n0.736808 0.945529 0.482891 Ge\n0.763192 0.054471 0.982891 Ge\n0.236808 0.554471 0.517109 Ge\n0.263192 0.445529 0.017109 Ge\n0.515641 0.980629 0.152547 Ge\n0.984359 0.019371 0.652547 Ge\n0.015641 0.519371 0.847453 Ge\n0.484359 0.480629 0.347453 Ge\n0.990681 0.603802 0.236368 Se\n0.509319 0.396198 0.736368 Se\n0.490681 0.896198 0.763632 Se\n0.009319 0.103802 0.263632 Se\n0.987126 0.606837 0.459100 Se\n0.512874 0.393163 0.959100 Se\n0.487126 0.893163 0.540900 Se\n0.012874 0.106837 0.040900 Se\n0.761012 0.882059 0.154505 Se\n0.738988 0.117941 0.654505 Se\n0.261012 0.617941 0.845495 Se\n0.238988 0.382059 0.345495 Se\n0.764472 0.614333 0.849867 Se\n0.735528 0.385667 0.349867 Se\n0.264472 0.885667 0.150133 Se\n0.235528 0.114333 0.650133 Se\n0.764257 0.876267 0.360340 Se\n0.735743 0.123733 0.860340 Se\n0.264257 0.623733 0.639660 Se\n0.235743 0.376267 0.139660 Se\n0.740113 0.114377 0.444742 Se\n0.759887 0.885623 0.944742 Se\n0.240113 0.385623 0.555258 Se\n0.259887 0.614377 0.055258 Se\n0.496680 0.588057 0.240029 Se\n0.003320 0.411943 0.740029 Se\n0.996680 0.911943 0.759971 Se\n0.503320 0.088057 0.259971 Se\n0.494858 0.594559 0.451426 Se\n0.005142 0.405441 0.951426 Se\n0.994858 0.905441 0.548574 Se\n0.505142 0.094559 0.048574 Se\n",
"nsites": 56,
"nelements": 4,
"elements": [
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"Se"
],
"chemical_system": "Cs-Ge-Se-Zn",
"density": 4.048113032081938,
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"volume": 1937.492916170197,
"volume_molar": 20.835455469071082,
"formula_full": "Cs8 Zn4 Ge12 Se32",
"formula_reduced": "Cs2ZnGe3Se8",
"formula_anonymous": "AB2C3D8",
"energy": -229.52286326,
"energy_per_atom": -4.098622558214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.41886326,
"band_gap": 1.4028,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0037264,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.938000Z",
"spacegroup": 19
},
{
"id": "mp-1186634",
"created_at": "2022-09-04T14:45:14.534366Z",
"structure_string": "Pm1 Sm1\n1.0\n1.827460 -3.165253 0.000000\n1.827460 3.165253 0.000000\n0.000000 0.000000 5.981358\nPm Sm\n1 1\ndirect\n0.666667 0.333333 0.500000 Pm\n0.333333 0.666667 0.000000 Sm\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"Sm"
],
"chemical_system": "Pm-Sm",
"density": 7.087852569358438,
"density_atomic": 0.02890306464894019,
"volume": 69.19681439640469,
"volume_molar": 20.835647821937172,
"formula_full": "Pm1 Sm1",
"formula_reduced": "PmSm",
"formula_anonymous": "AB",
"energy": -9.41774713,
"energy_per_atom": -4.708873565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.41774713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.463000Z",
"spacegroup": 187
}
]
}