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{
"id": "mp-865554",
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"structure_string": "Mn2 V1 Ge1\n1.0\n0.000000 2.883153 2.883153\n2.883153 0.000000 2.883153\n2.883153 2.883153 0.000000\nMn V Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Ge\n",
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{
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{
"id": "mp-22349",
"created_at": "2022-09-04T14:44:43.697016Z",
"structure_string": "Sm1 Fe2 Ge2\n1.0\n-1.997686 1.997686 5.385132\n1.997686 -1.997686 5.385132\n1.997686 1.997686 -5.385132\nSm Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.619785 0.619785 0.000000 Ge\n0.380215 0.380215 0.000000 Ge\n",
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"formula_full": "Sm1 Fe2 Ge2",
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"updated_at": "2021-11-28T01:36:42.107000Z",
"spacegroup": 139
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{
"id": "mp-1074665",
"created_at": "2022-09-04T14:48:04.192268Z",
"structure_string": "Mg8 Si4\n1.0\n5.630926 0.000000 0.000000\n2.347529 6.638139 0.000000\n2.658710 1.421220 6.760106\nMg Si\n8 4\ndirect\n0.521106 0.190225 0.266282 Mg\n0.503925 0.256845 0.652009 Mg\n0.012117 0.417853 0.053523 Mg\n0.552434 0.499327 0.900716 Mg\n0.989883 0.500590 0.472305 Mg\n0.022443 0.010356 0.416030 Mg\n0.515019 0.669325 0.271821 Mg\n0.009008 0.073417 0.847177 Mg\n0.741542 0.818870 0.835234 Si\n0.363816 0.043936 0.040332 Si\n0.215478 0.664426 0.676506 Si\n0.553338 0.854719 0.568533 Si\n",
"nsites": 12,
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"elements": [
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"density": 2.0160407393626327,
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"volume": 252.6851198903522,
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"formula_full": "Mg8 Si4",
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"updated_at": "2021-11-28T01:38:22.483000Z",
"spacegroup": 1
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{
"id": "mp-19833",
"created_at": "2022-09-04T14:39:13.091794Z",
"structure_string": "In2 Ag2 S4\n1.0\n-2.964706 2.964706 5.760658\n2.964706 -2.964706 5.760658\n2.964706 2.964706 -5.760658\nIn Ag S\n2 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.875000 0.864430 0.489430 S\n0.135570 0.625000 0.010570 S\n0.375000 0.385570 0.510570 S\n0.614430 0.125000 0.989430 S\n",
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"density": 4.703134751482733,
"density_atomic": 0.03949977650699569,
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"formula_full": "In2 Ag2 S4",
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"updated_at": "2021-11-28T01:34:40.285000Z",
"spacegroup": 122
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{
"id": "mp-1216078",
"created_at": "2022-09-04T14:47:01.292655Z",
"structure_string": "Y2 Cu3 Si1\n1.0\n0.000000 0.000000 -3.651662\n-2.082246 -3.601158 0.000000\n-6.395320 3.687018 0.000000\nY Cu Si\n2 3 1\ndirect\n0.000000 0.000102 0.998104 Y\n0.000000 0.499754 0.500856 Y\n0.500000 0.499811 0.837785 Cu\n0.500000 0.500087 0.174416 Cu\n0.500000 0.000282 0.658022 Cu\n0.500000 0.999764 0.330816 Si\n",
"nsites": 6,
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"elements": [
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"density": 5.872067703822816,
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"volume": 112.13463878377527,
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"formula_full": "Y2 Cu3 Si1",
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"formula_anonymous": "AB2C3",
"energy": -33.13338403,
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"updated_at": "2021-11-28T01:37:51.363000Z",
"spacegroup": 25
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{
"id": "mp-20785",
"created_at": "2022-09-04T14:39:18.604695Z",
"structure_string": "Nd1 Fe2 Ge2\n1.0\n-2.016432 2.016432 5.387755\n2.016432 -2.016432 5.387755\n2.016432 2.016432 -5.387755\nNd Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.621592 0.621592 0.000000 Ge\n0.378408 0.378408 0.000000 Ge\n",
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"formula_full": "Nd1 Fe2 Ge2",
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{
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"created_at": "2022-09-04T14:41:54.336847Z",
"structure_string": "Ce1 Ga6 Pd1\n1.0\n4.455011 0.000000 0.000000\n0.000000 4.455011 0.000000\n0.000000 0.000000 7.894518\nCe Ga Pd\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.152004 Ga\n0.000000 0.500000 0.673535 Ga\n0.500000 0.500000 0.847996 Ga\n0.500000 0.000000 0.673535 Ga\n0.000000 0.500000 0.326465 Ga\n0.500000 0.000000 0.326465 Ga\n0.000000 0.000000 0.500000 Pd\n",
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"volume": 156.6834698516144,
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"formula_full": "Ce1 Ga6 Pd1",
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{
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"created_at": "2022-09-04T14:45:07.236028Z",
"structure_string": "Na1 Nd2 Se3\n1.0\n-2.114091 2.997226 6.400677\n2.114091 -2.997226 6.400677\n2.114091 2.997226 -6.400677\nNa Nd Se\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.664049 0.664049 0.000000 Nd\n0.335951 0.335951 0.000000 Nd\n0.833018 0.333018 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.166982 0.666982 0.500000 Se\n",
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{
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{
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"structure_string": "Li1 Ta1 Ru2\n1.0\n0.000000 3.060095 3.060095\n3.060095 0.000000 3.060095\n3.060095 3.060095 0.000000\nLi Ta Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"volume": 119.28126787686945,
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]
}