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{
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{
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"created_at": "2022-09-04T14:40:54.524649Z",
"structure_string": "Na1 Be1 H3\n1.0\n3.342892 0.000000 0.000000\n0.000000 3.342892 0.000000\n0.000000 0.000000 3.342892\nNa Be H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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"formula_full": "Na1 Be1 H3",
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"updated_at": "2021-11-28T01:34:57.830000Z",
"spacegroup": 221
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{
"id": "mp-1062989",
"created_at": "2022-09-04T14:42:10.901953Z",
"structure_string": "Ce1 O2\n1.0\n-1.668349 1.668349 3.355218\n1.668349 -1.668349 3.355218\n1.668349 1.668349 -3.355218\nCe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.665484 0.665484 0.000000 O\n0.334516 0.334516 0.000000 O\n",
"nsites": 3,
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"spacegroup": 139
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{
"id": "mp-1246293",
"created_at": "2022-09-04T14:39:42.795016Z",
"structure_string": "Ti1 Mn1 N2\n1.0\n2.843095 0.646388 0.175639\n3.053801 6.433988 -0.494682\n4.934620 17.506978 0.642047\nTi Mn N\n1 1 2\ndirect\n0.000000 0.993176 0.502246 Ti\n1.000000 0.005878 0.997920 Mn\n1.000000 0.515545 0.575166 N\n1.000000 0.485301 0.424667 N\n",
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"formula_full": "Ti1 Mn1 N2",
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{
"id": "mp-1184680",
"created_at": "2022-09-04T14:43:22.119122Z",
"structure_string": "H2 Ir2\n1.0\n1.394465 -2.415284 0.000000\n1.394465 2.415284 0.000000\n0.000000 0.000000 5.536703\nH Ir\n2 2\ndirect\n0.666667 0.333333 0.527639 H\n0.333333 0.666667 0.027639 H\n0.666667 0.333333 0.847024 Ir\n0.333333 0.666667 0.347024 Ir\n",
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"updated_at": "2021-11-28T01:36:16.581000Z",
"spacegroup": 186
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{
"id": "mp-425",
"created_at": "2022-09-04T14:39:49.870013Z",
"structure_string": "Gd1 B2\n1.0\n1.651015 -2.859642 0.000000\n1.651015 2.859642 0.000000\n0.000000 0.000000 3.946017\nGd B\n1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
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"formula_full": "Gd1 B2",
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"energy": -28.86659823,
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"updated_at": "2021-11-28T01:34:39.892000Z",
"spacegroup": 191
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{
"id": "mp-1224692",
"created_at": "2022-09-04T14:46:38.848506Z",
"structure_string": "Fe2 Pt1\n1.0\n1.308800 -2.266908 0.000000\n1.308800 2.266908 0.000000\n0.000000 0.000000 6.276851\nFe Pt\n2 1\ndirect\n0.333333 0.666667 0.644540 Fe\n0.666667 0.333333 0.355460 Fe\n0.000000 0.000000 0.000000 Pt\n",
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"density": 13.676930812982697,
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"volume": 37.24594491138286,
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"formula_full": "Fe2 Pt1",
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{
"id": "mp-1225189",
"created_at": "2022-09-04T14:48:31.146886Z",
"structure_string": "Fe1 Mo1 O1\n1.0\n1.452641 -2.516049 0.000000\n1.452641 2.516049 0.000000\n0.000000 0.000000 5.095117\nFe Mo O\n1 1 1\ndirect\n0.000000 0.000000 0.790765 Fe\n0.666667 0.333333 0.215252 Mo\n0.333333 0.666667 0.493984 O\n",
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{
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"structure_string": "Zr1 P1\n1.0\n0.000000 2.650352 2.650352\n2.650352 0.000000 2.650352\n2.650352 2.650352 0.000000\nZr P\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:48:03.058131Z",
"structure_string": "Mg1 Mn1 N2\n1.0\n2.955860 0.000000 0.000000\n1.477930 4.992638 -0.065939\n0.000000 14.573798 2.329934\nMg Mn N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.759133 N\n0.000000 0.000000 0.240867 N\n",
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{
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"structure_string": "Li1 H1 Pd1\n1.0\n2.770985 0.000000 0.000000\n0.000000 2.770985 0.000000\n0.000000 0.000000 4.843876\nLi H Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 Pd\n",
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}