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{
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{
"id": "mp-1097287",
"created_at": "2022-09-04T14:41:27.860575Z",
"structure_string": "Mg2 Cu1 Rh1\n1.0\n-4.980125 5.393275 7.721884\n4.980125 -5.393275 7.721884\n4.980125 5.393275 -7.721884\nMg Cu Rh\n2 1 1\ndirect\n0.000000 0.253138 0.253138 Mg\n0.000000 0.746862 0.746862 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Rh\n",
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{
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"formula_full": "Pr2 Cu3 Sn3",
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"spacegroup": 2
},
{
"id": "mp-1093837",
"created_at": "2022-09-04T14:46:55.833673Z",
"structure_string": "Mn1 Zn2 Rh1\n1.0\n-5.039925 5.315937 7.740277\n5.039925 -5.315937 7.740277\n5.039925 5.315937 -7.740277\nMn Zn Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.260018 0.260018 Zn\n0.000000 0.739982 0.739982 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"density": 0.5778533506100929,
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"volume": 829.5076458266395,
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"formula_full": "Mn1 Zn2 Rh1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:45.355000Z",
"spacegroup": 71
},
{
"id": "mp-1095875",
"created_at": "2022-09-04T14:41:53.983180Z",
"structure_string": "Sc1 Zn1 Ir2\n1.0\n-4.730170 5.567392 7.867766\n4.730170 -5.567392 7.867766\n4.730170 5.567392 -7.867766\nSc Zn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.238054 0.238054 Ir\n0.000000 0.761946 0.761946 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-Sc-Zn",
"density": 0.9913747580873983,
"density_atomic": 0.004826363353989294,
"volume": 828.781363237757,
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"formula_full": "Sc1 Zn1 Ir2",
"formula_reduced": "ScZnIr2",
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"energy": -16.27264297,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:32.038000Z",
"spacegroup": 71
},
{
"id": "mp-1096718",
"created_at": "2022-09-04T14:40:58.405513Z",
"structure_string": "Ta2 Nb1 Mo1\n1.0\n-4.686956 5.638185 7.836214\n4.686956 -5.638185 7.836214\n4.686956 5.638185 -7.836214\nTa Nb Mo\n2 1 1\ndirect\n0.000000 0.250683 0.250683 Ta\n0.000000 0.749317 0.749317 Ta\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"density": 1.1040809788614194,
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"volume": 828.3168142575846,
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"energy": -25.6384088,
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"updated_at": "2021-11-28T01:34:57.572000Z",
"spacegroup": 71
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{
"id": "mp-1096040",
"created_at": "2022-09-04T14:41:17.661105Z",
"structure_string": "Zr1 Sc1 Ru2\n1.0\n-4.518244 5.714728 8.017432\n4.518244 -5.714728 8.017432\n4.518244 5.714728 -8.017432\nZr Sc Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.252515 0.252515 Ru\n0.000000 0.747485 0.747485 Ru\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ru-Sc-Zr",
"density": 0.6784473261950296,
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"volume": 828.0575502234028,
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"formula_full": "Zr1 Sc1 Ru2",
"formula_reduced": "ZrScRu2",
"formula_anonymous": "ABC2",
"energy": -22.21974283,
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"updated_at": "2021-11-28T01:35:09.790000Z",
"spacegroup": 71
},
{
"id": "mp-1096758",
"created_at": "2022-09-04T14:46:01.420090Z",
"structure_string": "Cu1 Sn1 Pd2\n1.0\n-4.895524 5.468321 7.732045\n4.895524 -5.468321 7.732045\n4.895524 5.468321 -7.732045\nCu Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Sn\n0.000000 0.252062 0.252062 Pd\n0.000000 0.747938 0.747938 Pd\n",
"nsites": 4,
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],
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"density": 0.7923994794413558,
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"volume": 827.9565548426744,
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"formula_full": "Cu1 Sn1 Pd2",
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"updated_at": "2021-11-28T01:37:17.711000Z",
"spacegroup": 71
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{
"id": "mp-1096556",
"created_at": "2022-09-04T14:47:11.819912Z",
"structure_string": "Ti2 Mo1 Au1\n1.0\n-4.891530 5.476511 7.725781\n4.891530 -5.476511 7.725781\n4.891530 5.476511 -7.725781\nTi Mo Au\n2 1 1\ndirect\n0.000000 0.225597 0.225597 Ti\n0.000000 0.774403 0.774403 Ti\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"formula_full": "Ti2 Mo1 Au1",
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"energy": -18.322978,
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{
"id": "mp-1208665",
"created_at": "2022-09-04T14:40:09.221279Z",
"structure_string": "Sr1 O4\n1.0\n9.487288 0.000000 0.000000\n0.000000 9.487288 0.000000\n0.000000 0.000000 11.491319\nSr O\n1 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.194337 O\n0.500000 0.500000 0.805663 O\n0.500000 0.500000 0.690729 O\n0.500000 0.500000 0.309271 O\n",
"nsites": 5,
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"elements": [
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"density": 0.24341350253789149,
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"volume": 1034.3179213936182,
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"formula_full": "Sr1 O4",
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"updated_at": "2021-11-28T01:34:45.499000Z",
"spacegroup": 123
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{
"id": "mp-1096050",
"created_at": "2022-09-04T14:45:27.318645Z",
"structure_string": "Mg1 Al1 Pt2\n1.0\n-4.754371 5.546535 7.841861\n4.754371 -5.546535 7.841861\n4.754371 5.546535 -7.841861\nMg Al Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n0.000000 0.263334 0.263334 Pt\n0.000000 0.736666 0.736666 Pt\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:37:02.085000Z",
"spacegroup": 71
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{
"id": "mp-1097409",
"created_at": "2022-09-04T14:46:41.794651Z",
"structure_string": "Hf2 Cu1 Mo1\n1.0\n-5.036677 5.406911 7.589143\n5.036677 -5.406911 7.589143\n5.036677 5.406911 -7.589143\nHf Cu Mo\n2 1 1\ndirect\n0.000000 0.264730 0.264730 Hf\n0.000000 0.735270 0.735270 Hf\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Mo\n",
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{
"id": "mp-1097444",
"created_at": "2022-09-04T14:45:16.801074Z",
"structure_string": "Ti1 Cd1 Rh2\n1.0\n-4.842857 5.493734 7.768107\n4.842857 -5.493734 7.768107\n4.842857 5.493734 -7.768107\nTi Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.213337 0.213337 Rh\n0.000000 0.786663 0.786663 Rh\n",
"nsites": 4,
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"formula_full": "Ti1 Cd1 Rh2",
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"total_magnetization": 1.77e-05,
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"updated_at": "2021-11-28T01:36:54.029000Z",
"spacegroup": 71
}
]
}