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{
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"results": [
{
"id": "mp-1095970",
"created_at": "2022-09-04T14:43:16.098495Z",
"structure_string": "Fe1 Cu1 Pd2\n1.0\n-4.763295 5.478246 7.732249\n4.763295 -5.478246 7.732249\n4.763295 5.478246 -7.732249\nFe Cu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Cu\n0.000000 0.239001 0.239001 Pd\n0.000000 0.760999 0.760999 Pd\n",
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{
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"structure_string": "Li1 Zn1 Ga2\n1.0\n-5.198101 5.240095 7.403939\n5.198101 -5.240095 7.403939\n5.198101 5.240095 -7.403939\nLi Zn Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zn\n0.000000 0.256056 0.256056 Ga\n0.000000 0.743944 0.743944 Ga\n",
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"formula_full": "Li1 Zn1 Ga2",
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"updated_at": "2021-11-28T01:37:42.328000Z",
"spacegroup": 71
},
{
"id": "mp-1096222",
"created_at": "2022-09-04T14:44:15.274667Z",
"structure_string": "Nb2 V1 Re1\n1.0\n-4.565571 5.655152 7.810289\n4.565571 -5.655152 7.810289\n4.565571 5.655152 -7.810289\nNb V Re\n2 1 1\ndirect\n0.000000 0.254651 0.254651 Nb\n0.000000 0.745349 0.745349 Nb\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Nb-Re-V",
"density": 0.8707294023536658,
"density_atomic": 0.004958993196357081,
"volume": 806.6153434004375,
"volume_molar": 121.4387784283293,
"formula_full": "Nb2 V1 Re1",
"formula_reduced": "Nb2VRe",
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"energy_uncorrected": -24.1792701,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.287000Z",
"spacegroup": 71
},
{
"id": "mp-1096420",
"created_at": "2022-09-04T14:46:21.848350Z",
"structure_string": "Hf2 Ni1 Os1\n1.0\n-4.693345 5.511298 7.794933\n4.693345 -5.511298 7.794933\n4.693345 5.511298 -7.794933\nHf Ni Os\n2 1 1\ndirect\n0.000000 0.252822 0.252822 Hf\n0.000000 0.747178 0.747178 Hf\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hf-Ni-Os",
"density": 1.2475091367771842,
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"volume": 806.5081341888954,
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"formula_full": "Hf2 Ni1 Os1",
"formula_reduced": "Hf2NiOs",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:29.118000Z",
"spacegroup": 71
},
{
"id": "mp-1182197",
"created_at": "2022-09-04T14:45:55.237054Z",
"structure_string": "Nd4 Mn4 O12\n1.0\n14.392943 0.000000 0.000000\n0.000000 14.078227 0.000000\n0.000000 0.736223 19.895749\nNd Mn O\n4 4 12\ndirect\n0.517957 0.444517 0.746592 Nd\n0.482043 0.555483 0.253408 Nd\n0.017957 0.055483 0.253408 Nd\n0.982043 0.944517 0.746592 Nd\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.038933 0.173863 0.210243 O\n0.725110 0.299288 0.044134 O\n0.461067 0.673863 0.210243 O\n0.356848 0.254213 0.517090 O\n0.961067 0.826137 0.789757 O\n0.143152 0.754213 0.517090 O\n0.774890 0.799288 0.044134 O\n0.274890 0.700712 0.955866 O\n0.643152 0.745787 0.482910 O\n0.538933 0.326137 0.789757 O\n0.225110 0.200712 0.955866 O\n0.856848 0.245787 0.482910 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Mn-Nd-O",
"density": 0.40725035426490375,
"density_atomic": 0.004961033198513596,
"volume": 4031.418295284199,
"volume_molar": 121.38884218320344,
"formula_full": "Nd4 Mn4 O12",
"formula_reduced": "NdMnO3",
"formula_anonymous": "ABC3",
"energy": -94.94466873,
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"updated_at": "2021-11-28T01:37:13.663000Z",
"spacegroup": 14
},
{
"id": "mp-995393",
"created_at": "2022-09-04T14:40:02.733335Z",
"structure_string": "Li2 S8\n1.0\n12.210871 0.000000 0.000000\n0.390307 12.842929 0.000000\n0.514386 1.313073 12.852301\nLi S\n2 8\ndirect\n0.648160 0.318061 0.530700 Li\n0.519788 0.481913 0.465939 Li\n0.465987 0.296680 0.489061 S\n0.425606 0.358886 0.627553 S\n0.292396 0.458894 0.603342 S\n0.340886 0.588990 0.503861 S\n0.419493 0.689643 0.592853 S\n0.583727 0.698744 0.544551 S\n0.675482 0.573155 0.607734 S\n0.715077 0.485033 0.484408 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "Li-S",
"density": 0.22277547787999633,
"density_atomic": 0.004961447349254914,
"volume": 2015.540888789589,
"volume_molar": 121.37870939826412,
"formula_full": "Li2 S8",
"formula_reduced": "LiS4",
"formula_anonymous": "AB4",
"energy": -43.19150536000001,
"energy_per_atom": -4.319150536,
"energy_above_hull": null,
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"energy_uncorrected": -39.16750536,
"band_gap": 2.1585,
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"updated_at": "2021-11-28T01:34:47.059000Z",
"spacegroup": 1
},
{
"id": "mp-1093933",
"created_at": "2022-09-04T14:43:12.117915Z",
"structure_string": "Zr2 Fe1 Tc1\n1.0\n-4.500709 5.626246 7.945298\n4.500709 -5.626246 7.945298\n4.500709 5.626246 -7.945298\nZr Fe Tc\n2 1 1\ndirect\n0.000000 0.249869 0.249869 Zr\n0.000000 0.750131 0.750131 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"Fe",
"Tc"
],
"chemical_system": "Fe-Tc-Zr",
"density": 0.6939003265221457,
"density_atomic": 0.00497038646795552,
"volume": 804.766395085839,
"volume_molar": 121.16041275311738,
"formula_full": "Zr2 Fe1 Tc1",
"formula_reduced": "Zr2FeTc",
"formula_anonymous": "ABC2",
"energy": -22.35253763,
"energy_per_atom": -5.5881344075,
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"updated_at": "2021-11-28T01:36:05.163000Z",
"spacegroup": 71
},
{
"id": "mp-1097466",
"created_at": "2022-09-04T14:42:18.121365Z",
"structure_string": "Mn1 Nb1 Tc2\n1.0\n-4.831211 5.423464 7.677984\n4.831211 -5.423464 7.677984\n4.831211 5.423464 -7.677984\nMn Nb Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Nb\n0.000000 0.271449 0.271449 Tc\n0.000000 0.728551 0.728551 Tc\n",
"nsites": 4,
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],
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"density": 0.7095305891390034,
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"volume": 804.7110431672397,
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"formula_full": "Mn1 Nb1 Tc2",
"formula_reduced": "MnNbTc2",
"formula_anonymous": "ABC2",
"energy": -25.02144328,
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{
"id": "mp-1095713",
"created_at": "2022-09-04T14:41:06.764371Z",
"structure_string": "Cu1 Ag1 Pd2\n1.0\n-4.982115 5.331237 7.572205\n4.982115 -5.331237 7.572205\n4.982115 5.331237 -7.572205\nCu Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n0.000000 0.236275 0.236275 Pd\n0.000000 0.763725 0.763725 Pd\n",
"nsites": 4,
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"density": 0.7931286331713118,
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"volume": 804.496375390989,
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"formula_full": "Cu1 Ag1 Pd2",
"formula_reduced": "CuAgPd2",
"formula_anonymous": "ABC2",
"energy": -8.69819802,
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"updated_at": "2021-11-28T01:35:16.371000Z",
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{
"id": "mp-1096702",
"created_at": "2022-09-04T14:42:02.879130Z",
"structure_string": "Ti2 V1 Re1\n1.0\n-4.921013 5.399736 7.568182\n4.921013 -5.399736 7.568182\n4.921013 5.399736 -7.568182\nTi V Re\n2 1 1\ndirect\n0.000000 0.275798 0.275798 Ti\n0.000000 0.724202 0.724202 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"volume": 804.4121066438647,
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"formula_full": "Ti2 V1 Re1",
"formula_reduced": "Ti2VRe",
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},
{
"id": "mp-1093883",
"created_at": "2022-09-04T14:40:25.146968Z",
"structure_string": "Mn2 Ga1 Mo1\n1.0\n-5.165594 5.290259 7.355933\n5.165594 -5.290259 7.355933\n5.165594 5.290259 -7.355933\nMn Ga Mo\n2 1 1\ndirect\n0.229129 0.000000 0.229129 Mn\n0.770871 0.000000 0.770871 Mn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
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"volume": 804.0720385751647,
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"formula_full": "Mn2 Ga1 Mo1",
"formula_reduced": "Mn2GaMo",
"formula_anonymous": "ABC2",
"energy": -19.93683025,
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"updated_at": "2021-11-28T01:34:50.897000Z",
"spacegroup": 71
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{
"id": "mp-1093832",
"created_at": "2022-09-04T14:40:57.346875Z",
"structure_string": "Cd1 Cu2 Rh1\n1.0\n-4.914284 5.355003 7.635051\n4.914284 -5.355003 7.635051\n4.914284 5.355003 -7.635051\nCd Cu Rh\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.244616 0.244616 Cu\n0.000000 0.755384 0.755384 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"Rh"
],
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"density": 0.7074597420009332,
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"volume": 803.696178354635,
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"formula_full": "Cd1 Cu2 Rh1",
"formula_reduced": "CdCu2Rh",
"formula_anonymous": "ABC2",
"energy": -8.33479337,
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"updated_at": "2021-11-28T01:34:58.096000Z",
"spacegroup": 71
}
]
}