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{
"id": "mp-1009133",
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"structure_string": "Mn1 Co1\n1.0\n2.853600 0.000000 0.000000\n0.000000 2.853600 0.000000\n0.000000 0.000000 2.853600\nMn Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Co\n",
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{
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"structure_string": "Li2 B2\n1.0\n0.000000 2.412716 2.412716\n2.412716 0.000000 2.412716\n2.412716 2.412716 0.000000\nLi B\n2 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 B\n0.000000 0.000000 0.000000 B\n",
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{
"id": "mp-1183482",
"created_at": "2022-09-04T14:41:02.730028Z",
"structure_string": "Ca2 Cu1 Rh1\n1.0\n0.000000 3.498504 3.498504\n3.498504 0.000000 3.498504\n3.498504 3.498504 0.000000\nCa Cu Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Rh\n",
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"spacegroup": 225
},
{
"id": "mp-11953",
"created_at": "2022-09-04T14:46:19.464814Z",
"structure_string": "Rb3 Hg33\n1.0\n10.450851 0.000000 0.000000\n0.000000 10.450851 0.000000\n0.000000 0.000000 10.450851\nRb Hg\n3 33\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Hg\n0.153028 0.153028 0.153028 Hg\n0.153028 0.846972 0.153028 Hg\n0.153028 0.153028 0.846972 Hg\n0.846972 0.153028 0.153028 Hg\n0.846972 0.846972 0.153028 Hg\n0.153028 0.846972 0.846972 Hg\n0.846972 0.153028 0.846972 Hg\n0.846972 0.846972 0.846972 Hg\n0.268725 0.500000 0.268725 Hg\n0.268725 0.731275 0.500000 Hg\n0.268725 0.268725 0.500000 Hg\n0.268725 0.500000 0.731275 Hg\n0.731275 0.500000 0.268725 Hg\n0.500000 0.268725 0.268725 Hg\n0.500000 0.731275 0.268725 Hg\n0.500000 0.268725 0.731275 Hg\n0.731275 0.731275 0.500000 Hg\n0.731275 0.268725 0.500000 Hg\n0.500000 0.731275 0.731275 Hg\n0.731275 0.500000 0.731275 Hg\n0.345563 0.345563 0.000000 Hg\n0.345563 0.000000 0.345563 Hg\n0.345563 0.000000 0.654437 Hg\n0.000000 0.345563 0.654437 Hg\n0.000000 0.345563 0.345563 Hg\n0.654437 0.345563 0.000000 Hg\n0.345563 0.654437 0.000000 Hg\n0.654437 0.000000 0.345563 Hg\n0.000000 0.654437 0.654437 Hg\n0.654437 0.000000 0.654437 Hg\n0.000000 0.654437 0.345563 Hg\n0.654437 0.654437 0.000000 Hg\n",
"nsites": 36,
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"elements": [
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"chemical_system": "Hg-Rb",
"density": 10.002809579954729,
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"volume": 1141.4449416868179,
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"formula_full": "Rb3 Hg33",
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{
"id": "mp-1096598",
"created_at": "2022-09-04T14:40:07.438572Z",
"structure_string": "Li1 Ti2 Ir1\n1.0\n-5.290600 5.327086 7.555336\n5.290600 -5.327086 7.555336\n5.290600 5.327086 -7.555336\nLi Ti Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.291554 0.291554 Ti\n0.000000 0.708446 0.708446 Ti\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"density": 0.5749150509960621,
"density_atomic": 0.004696254036511445,
"volume": 851.7426802088736,
"volume_molar": 128.23285778793758,
"formula_full": "Li1 Ti2 Ir1",
"formula_reduced": "LiTi2Ir",
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"updated_at": "2021-11-28T01:34:48.527000Z",
"spacegroup": 71
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{
"id": "mp-569406",
"created_at": "2022-09-04T14:45:42.869362Z",
"structure_string": "Tm2 Zn4\n1.0\n-2.239338 3.501395 3.754183\n2.239338 -3.501395 3.754183\n2.239338 3.501395 -3.754183\nTm Zn\n2 4\ndirect\n0.219243 0.469243 0.750000 Tm\n0.780757 0.530757 0.250000 Tm\n0.376479 0.833489 0.542991 Zn\n0.623521 0.166511 0.457009 Zn\n0.209502 0.166511 0.042991 Zn\n0.790498 0.833489 0.957009 Zn\n",
"nsites": 6,
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"density": 8.454838176072936,
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"volume": 117.74329552830777,
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"formula_full": "Tm2 Zn4",
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"updated_at": "2021-11-28T01:37:11.449000Z",
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{
"id": "mp-1181781",
"created_at": "2022-09-04T14:42:01.191515Z",
"structure_string": "Co1 O2\n1.0\n3.404775 4.549181 0.000000\n-3.404775 4.549181 0.000000\n0.000000 0.767147 4.296331\nCo O\n1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.824320 0.824320 0.048777 O\n0.175680 0.175680 0.951223 O\n",
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"density": 1.1345312271810015,
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{
"id": "mp-11952",
"created_at": "2022-09-04T14:39:39.859737Z",
"structure_string": "K3 Hg33\n1.0\n10.378871 0.000000 0.000000\n0.000000 10.378871 0.000000\n0.000000 0.000000 10.378871\nK Hg\n3 33\ndirect\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.152828 0.152828 0.847172 Hg\n0.847172 0.152828 0.152828 Hg\n0.847172 0.847172 0.152828 Hg\n0.152828 0.847172 0.847172 Hg\n0.847172 0.152828 0.847172 Hg\n0.847172 0.847172 0.847172 Hg\n0.344988 0.344988 0.000000 Hg\n0.344988 0.000000 0.344988 Hg\n0.344988 0.000000 0.655012 Hg\n0.000000 0.344988 0.655012 Hg\n0.000000 0.344988 0.344988 Hg\n0.655012 0.344988 0.000000 Hg\n0.344988 0.655012 0.000000 Hg\n0.655012 0.000000 0.344988 Hg\n0.000000 0.655012 0.655012 Hg\n0.655012 0.000000 0.655012 Hg\n0.000000 0.655012 0.344988 Hg\n0.655012 0.655012 0.000000 Hg\n0.267537 0.267537 0.500000 Hg\n0.267537 0.500000 0.267537 Hg\n0.267537 0.500000 0.732463 Hg\n0.500000 0.267537 0.732463 Hg\n0.500000 0.267537 0.267537 Hg\n0.732463 0.267537 0.500000 Hg\n0.267537 0.732463 0.500000 Hg\n0.732463 0.500000 0.267537 Hg\n0.500000 0.732463 0.732463 Hg\n0.732463 0.500000 0.732463 Hg\n0.500000 0.732463 0.267537 Hg\n0.732463 0.732463 0.500000 Hg\n0.152828 0.847172 0.152828 Hg\n0.152828 0.152828 0.152828 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"formula_full": "K3 Hg33",
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{
"id": "mp-631269",
"created_at": "2022-09-04T14:43:15.973493Z",
"structure_string": "Li1 Ir1 Rh1\n1.0\n0.000000 2.762538 2.762538\n2.762538 0.000000 2.762538\n2.762538 2.762538 0.000000\nLi Ir Rh\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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"formula_full": "Li1 Ir1 Rh1",
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{
"id": "mp-1207929",
"created_at": "2022-09-04T14:45:56.479960Z",
"structure_string": "Tm1 Bi1 Rh1\n1.0\n0.000000 3.360559 3.360559\n3.360559 0.000000 3.360559\n3.360559 3.360559 0.000000\nTm Bi Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 Rh\n",
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{
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"created_at": "2022-09-04T14:40:38.998594Z",
"structure_string": "Cu1 Br2 N2\n1.0\n3.887289 3.837195 0.000000\n-3.887289 3.837195 0.000000\n0.000000 0.738083 3.962510\nCu Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.247272 0.247272 0.577726 Br\n0.752728 0.752728 0.422274 Br\n0.758913 0.241087 0.000000 N\n0.241087 0.758913 0.000000 N\n",
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"volume": 118.21186419698165,
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"formula_full": "Cu1 Br2 N2",
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"energy": -16.31531405,
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{
"id": "mp-1183806",
"created_at": "2022-09-04T14:47:07.900747Z",
"structure_string": "Dy1 Lu1 In2\n1.0\n0.000000 3.725304 3.725304\n3.725304 0.000000 3.725304\n3.725304 3.725304 0.000000\nDy Lu In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
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"volume": 103.3987174555538,
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]
}