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{
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"results": [
{
"id": "mp-973976",
"created_at": "2022-09-04T14:46:01.952100Z",
"structure_string": "Lu2 Br2\n1.0\n1.803437 -3.123645 0.000000\n1.803437 3.123645 0.000000\n0.000000 0.000000 9.871749\nLu Br\n2 2\ndirect\n0.666667 0.333333 0.830990 Lu\n0.333333 0.666667 0.330990 Lu\n0.666667 0.333333 0.544011 Br\n0.333333 0.666667 0.044011 Br\n",
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{
"id": "mp-1093793",
"created_at": "2022-09-04T14:42:27.870236Z",
"structure_string": "Ti2 Be1 Tc1\n1.0\n-4.753049 6.075419 8.893136\n4.753049 -6.075419 8.893136\n4.753049 6.075419 -8.893136\nTi Be Tc\n2 1 1\ndirect\n0.000000 0.277440 0.277440 Ti\n0.000000 0.722560 0.722560 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
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"formula_full": "Ti2 Be1 Tc1",
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"updated_at": "2021-11-28T01:35:54.606000Z",
"spacegroup": 71
},
{
"id": "mp-1186696",
"created_at": "2022-09-04T14:47:20.576430Z",
"structure_string": "Pr3 Br1\n1.0\n5.013213 0.000000 0.000000\n0.000000 5.013213 0.000000\n0.000000 0.000000 5.013213\nPr Br\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Br\n",
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"volume": 125.99359605730507,
"volume_molar": 18.968779257891804,
"formula_full": "Pr3 Br1",
"formula_reduced": "Pr3Br",
"formula_anonymous": "AB3",
"energy": -17.0972986,
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"updated_at": "2021-11-28T01:38:03.451000Z",
"spacegroup": 221
},
{
"id": "mp-23516",
"created_at": "2022-09-04T14:46:35.678721Z",
"structure_string": "Cu4 Cl4 O2\n1.0\n0.000000 4.707207 4.978017\n4.023618 0.000000 4.978017\n4.023618 4.707207 0.000000\nCu Cl O\n4 4 2\ndirect\n0.125000 0.625000 0.125000 Cu\n0.125000 0.125000 0.625000 Cu\n0.125000 0.125000 0.125000 Cu\n0.625000 0.125000 0.125000 Cu\n0.288148 0.288148 0.711852 Cl\n0.711852 0.711852 0.288148 Cl\n0.538148 0.538148 0.961852 Cl\n0.961852 0.961852 0.538148 Cl\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Cu-O",
"density": 3.768956974665404,
"density_atomic": 0.05303146072723893,
"volume": 188.56731198549897,
"volume_molar": 11.355788955115099,
"formula_full": "Cu4 Cl4 O2",
"formula_reduced": "Cu2Cl2O",
"formula_anonymous": "AB2C2",
"energy": -42.74309816,
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"updated_at": "2021-11-28T01:37:38.737000Z",
"spacegroup": 70
},
{
"id": "mp-1180407",
"created_at": "2022-09-04T14:39:44.429123Z",
"structure_string": "Mg1 Br2 O6\n1.0\n3.135003 5.501843 0.000000\n-3.135003 5.501843 0.000000\n0.000000 0.604107 4.497367\nMg Br O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.299669 0.299669 0.175526 Br\n0.700331 0.700331 0.824474 Br\n0.182924 0.182924 0.944412 O\n0.817076 0.817076 0.055588 O\n0.790712 0.242654 0.630466 O\n0.242654 0.790712 0.630466 O\n0.209288 0.757346 0.369534 O\n0.757346 0.209288 0.369534 O\n",
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"density": 2.998073682791411,
"density_atomic": 0.058010689964616495,
"volume": 155.14381927692176,
"volume_molar": 10.381087974773601,
"formula_full": "Mg1 Br2 O6",
"formula_reduced": "Mg(BrO3)2",
"formula_anonymous": "AB2C6",
"energy": -38.46827704,
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"updated_at": "2021-11-28T01:34:34.316000Z",
"spacegroup": 12
},
{
"id": "mp-1186704",
"created_at": "2022-09-04T14:44:18.525377Z",
"structure_string": "Pr6 Ag2\n1.0\n3.630483 -6.288181 0.000000\n3.630483 6.288181 0.000000\n0.000000 0.000000 5.388502\nPr Ag\n6 2\ndirect\n0.175585 0.351171 0.250000 Pr\n0.648829 0.824415 0.250000 Pr\n0.175585 0.824415 0.250000 Pr\n0.824415 0.648829 0.750000 Pr\n0.351171 0.175585 0.750000 Pr\n0.824415 0.175585 0.750000 Pr\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-Pr",
"density": 7.162285183147007,
"density_atomic": 0.032516403299285526,
"volume": 246.02967082081253,
"volume_molar": 18.52031636024247,
"formula_full": "Pr6 Ag2",
"formula_reduced": "Pr3Ag",
"formula_anonymous": "AB3",
"energy": -34.19350598,
"energy_per_atom": -4.2741882475,
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"updated_at": "2021-11-28T01:36:30.259000Z",
"spacegroup": 194
},
{
"id": "mp-1180589",
"created_at": "2022-09-04T14:39:42.829823Z",
"structure_string": "Mn4 Zn4 Br16 O24\n1.0\n9.865700 0.000000 0.000000\n0.000000 10.690079 0.000000\n0.000000 0.000000 14.669107\nMn Zn Br O\n4 4 16 24\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.657388 0.000000 0.172800 Zn\n0.342612 0.000000 0.827200 Zn\n0.157388 0.000000 0.327200 Zn\n0.842612 0.000000 0.672800 Zn\n0.056581 0.000000 0.191196 Br\n0.943419 0.000000 0.808804 Br\n0.556581 0.000000 0.308804 Br\n0.443419 0.000000 0.691196 Br\n0.735443 0.000000 0.031445 Br\n0.264557 0.000000 0.968555 Br\n0.235443 0.000000 0.468555 Br\n0.764557 0.000000 0.531445 Br\n0.741133 0.343994 0.396245 Br\n0.258867 0.343994 0.603755 Br\n0.241133 0.656006 0.103755 Br\n0.758867 0.656006 0.896245 Br\n0.258867 0.656006 0.603755 Br\n0.741133 0.656006 0.396245 Br\n0.758867 0.343994 0.896245 Br\n0.241133 0.343994 0.103755 Br\n0.012800 0.500000 0.884652 O\n0.987200 0.500000 0.115348 O\n0.512800 0.500000 0.615348 O\n0.487200 0.500000 0.384652 O\n0.858994 0.350834 0.991919 O\n0.141006 0.350834 0.008081 O\n0.358994 0.649166 0.508081 O\n0.641006 0.649166 0.491919 O\n0.141006 0.649166 0.008081 O\n0.858994 0.649166 0.991919 O\n0.641006 0.350834 0.491919 O\n0.358994 0.350834 0.508081 O\n0.371839 0.500000 0.924111 O\n0.628161 0.500000 0.075889 O\n0.871839 0.500000 0.575889 O\n0.128161 0.500000 0.424111 O\n0.589467 0.353711 0.923392 O\n0.410533 0.353711 0.076608 O\n0.089467 0.646289 0.576608 O\n0.910533 0.646289 0.423392 O\n0.410533 0.646289 0.076608 O\n0.589467 0.646289 0.923392 O\n0.910533 0.353711 0.423392 O\n0.089467 0.353711 0.576608 O\n",
"nsites": 48,
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"elements": [
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],
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"density": 2.3010630638491376,
"density_atomic": 0.031026210961745813,
"volume": 1547.0790184203365,
"volume_molar": 19.409849199520625,
"formula_full": "Mn4 Zn4 Br16 O24",
"formula_reduced": "MnZn(Br2O3)2",
"formula_anonymous": "ABC4D6",
"energy": -205.15299094,
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"spacegroup": 55
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{
"id": "mp-1113921",
"created_at": "2022-09-04T14:41:31.276989Z",
"structure_string": "Na2 Li1 Er1 Cl6\n1.0\n0.000000 5.109729 5.109729\n5.109729 0.000000 5.109729\n5.109729 5.109729 0.000000\nNa Li Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Er\n0.746498 0.253502 0.253502 Cl\n0.253502 0.253502 0.746498 Cl\n0.253502 0.746498 0.746498 Cl\n0.253502 0.746498 0.253502 Cl\n0.746498 0.253502 0.746498 Cl\n0.746498 0.746498 0.253502 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.6940807939908304,
"density_atomic": 0.037477999574218816,
"volume": 266.8232059770612,
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"formula_full": "Na2 Li1 Er1 Cl6",
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{
"id": "mp-802313",
"created_at": "2022-09-04T14:46:42.114262Z",
"structure_string": "Li1 V1 Fe1 P2 H2 O10\n1.0\n5.216535 0.000000 0.000000\n-0.729339 5.250479 0.000000\n-1.945631 -2.851309 6.569425\nLi V Fe P H O\n1 1 1 2 2 10\ndirect\n0.619324 0.254504 0.154859 Li\n0.494493 0.493016 0.504243 V\n0.008579 0.009891 0.995766 Fe\n0.088261 0.414489 0.229434 P\n0.902400 0.581576 0.774099 P\n0.297108 0.590954 0.348631 H\n0.694461 0.378353 0.657197 H\n0.429026 0.257033 0.714589 O\n0.893465 0.429723 0.378560 O\n0.070850 0.007996 0.650243 O\n0.552969 0.674844 0.074748 O\n0.972644 0.534293 0.130208 O\n0.978990 0.439774 0.891369 O\n0.442859 0.313777 0.926220 O\n0.948551 0.997926 0.343425 O\n0.115909 0.577924 0.619927 O\n0.560881 0.764600 0.283943 O\n",
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"formula_full": "Li1 V1 Fe1 P2 H2 O10",
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{
"id": "mp-1220048",
"created_at": "2022-09-04T14:48:25.238434Z",
"structure_string": "Nd1 Te1\n1.0\n3.525623 0.000000 0.000000\n0.000000 3.525623 0.000000\n0.000000 0.000000 6.149698\nNd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Te\n",
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"formula_full": "Nd1 Te1",
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"updated_at": "2021-11-28T01:39:34.912000Z",
"spacegroup": 123
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{
"id": "mp-631466",
"created_at": "2022-09-04T14:40:00.195575Z",
"structure_string": "K1 Sc2 Co1\n1.0\n0.000000 3.572596 3.572596\n3.572596 0.000000 3.572596\n3.572596 3.572596 0.000000\nK Sc Co\n1 2 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Co\n",
"nsites": 4,
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{
"id": "mp-6931",
"created_at": "2022-09-04T14:48:14.420615Z",
"structure_string": "Sr1 Al2 Si2\n1.0\n2.103165 -3.642789 0.000000\n2.103165 3.642789 0.000000\n0.000000 0.000000 7.447889\nSr Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.374221 Al\n0.333333 0.666667 0.625779 Al\n0.666667 0.333333 0.723698 Si\n0.333333 0.666667 0.276302 Si\n",
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]
}