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{
"id": "mp-1210637",
"created_at": "2022-09-04T14:46:09.847615Z",
"structure_string": "Th4 B8 Os8\n1.0\n0.000000 0.000000 12.054459\n22.261321 0.000000 0.000000\n-0.000000 22.261321 0.000000\nTh B Os\n4 8 8\ndirect\n0.250000 0.250000 0.250000 Th\n0.250000 0.750000 0.750000 Th\n0.750000 0.250000 0.750000 Th\n0.750000 0.750000 0.250000 Th\n0.126345 0.035635 0.601010 B\n0.126345 0.964365 0.398990 B\n0.626345 0.898990 0.535635 B\n0.373655 0.464365 0.898990 B\n0.626345 0.101010 0.464365 B\n0.373655 0.535635 0.101010 B\n0.873655 0.601010 0.964365 B\n0.873655 0.398990 0.035635 B\n0.363673 0.615350 0.106246 Os\n0.363673 0.384650 0.893754 Os\n0.863673 0.393754 0.115350 Os\n0.136327 0.884650 0.393754 Os\n0.863673 0.606246 0.884650 Os\n0.136327 0.115350 0.606246 Os\n0.636327 0.106246 0.384650 Os\n0.636327 0.893754 0.615350 Os\n",
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{
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{
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"created_at": "2022-09-04T14:45:09.060617Z",
"structure_string": "Zr2 In1 Ag1\n1.0\n-5.801993 6.015496 8.549645\n5.801993 -6.015496 8.549645\n5.801993 6.015496 -8.549645\nZr In Ag\n2 1 1\ndirect\n0.000000 0.247923 0.247923 Zr\n0.000000 0.752077 0.752077 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
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"formula_full": "Zr2 In1 Ag1",
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"updated_at": "2021-11-28T01:36:48.820000Z",
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{
"id": "mp-1210439",
"created_at": "2022-09-04T14:48:24.084190Z",
"structure_string": "Sm2 Ga12\n1.0\n17.851547 0.000000 0.000000\n0.000000 17.851547 0.000000\n0.000000 0.000000 13.106840\nSm Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.892156 0.402774 Ga\n0.000000 0.107844 0.402774 Ga\n0.892156 0.000000 0.402774 Ga\n0.107844 0.000000 0.597226 Ga\n0.000000 0.107844 0.597226 Ga\n0.107844 0.000000 0.402774 Ga\n0.892156 0.000000 0.597226 Ga\n0.000000 0.892156 0.597226 Ga\n0.500000 0.000000 0.218800 Ga\n0.000000 0.500000 0.218800 Ga\n0.000000 0.500000 0.781200 Ga\n0.500000 0.000000 0.781200 Ga\n",
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"density": 0.45217972026178166,
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"volume": 4176.858022516243,
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"formula_full": "Sm2 Ga12",
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"energy": -26.18422238,
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{
"id": "mp-1096014",
"created_at": "2022-09-04T14:40:04.803117Z",
"structure_string": "Y2 Hg1 Ru1\n1.0\n-5.728006 6.143738 8.475266\n5.728006 -6.143738 8.475266\n5.728006 6.143738 -8.475266\nY Hg Ru\n2 1 1\ndirect\n0.000000 0.204025 0.204025 Y\n0.000000 0.795975 0.795975 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Y2 Hg1 Ru1",
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"updated_at": "2021-11-28T01:34:46.777000Z",
"spacegroup": 71
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{
"id": "mp-1096118",
"created_at": "2022-09-04T14:41:55.351957Z",
"structure_string": "Sc1 Cd2 Ag1\n1.0\n-5.803700 6.042112 8.504609\n5.803700 -6.042112 8.504609\n5.803700 6.042112 -8.504609\nSc Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.261758 0.261758 Cd\n0.000000 0.738242 0.738242 Cd\n0.000000 0.500000 0.500000 Ag\n",
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"density": 0.5256855578178379,
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"volume": 1192.91107202702,
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"formula_full": "Sc1 Cd2 Ag1",
"formula_reduced": "ScCd2Ag",
"formula_anonymous": "ABC2",
"energy": -5.44203659,
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{
"id": "mp-1097481",
"created_at": "2022-09-04T14:44:07.387190Z",
"structure_string": "La1 Sb1 Au2\n1.0\n-5.399039 6.249596 8.824341\n5.399039 -6.249596 8.824341\n5.399039 6.249596 -8.824341\nLa Sb Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sb\n0.000000 0.249505 0.249505 Au\n0.000000 0.750495 0.750495 Au\n",
"nsites": 4,
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"volume": 1190.9970391821626,
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"formula_full": "La1 Sb1 Au2",
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{
"id": "mp-1093580",
"created_at": "2022-09-04T14:42:27.252909Z",
"structure_string": "Li2 Y1 In1\n1.0\n-5.940885 5.948411 8.422858\n5.940885 -5.948411 8.422858\n5.940885 5.948411 -8.422858\nLi Y In\n2 1 1\ndirect\n0.000000 0.261052 0.261052 Li\n0.000000 0.738948 0.738948 Li\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"formula_full": "Li2 Y1 In1",
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{
"id": "mp-1096061",
"created_at": "2022-09-04T14:48:29.953088Z",
"structure_string": "Ca1 Bi1 Au2\n1.0\n-5.540335 6.162206 8.708026\n5.540335 -6.162206 8.708026\n5.540335 6.162206 -8.708026\nCa Bi Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Bi\n0.000000 0.246209 0.246209 Au\n0.000000 0.753791 0.753791 Au\n",
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"volume": 1189.1919107193767,
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"formula_full": "Ca1 Bi1 Au2",
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{
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{
"id": "mp-1093767",
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"structure_string": "Sc2 Tl1 Mo1\n1.0\n-5.206349 6.027503 9.470115\n5.206349 -6.027503 9.470115\n5.206349 6.027503 -9.470115\nSc Tl Mo\n2 1 1\ndirect\n0.000000 0.218122 0.218122 Sc\n0.000000 0.781878 0.781878 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Mo\n",
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{
"id": "mp-1097317",
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"structure_string": "Mg2 Zn1 Hg1\n1.0\n-5.940498 5.952421 8.400709\n5.940498 -5.952421 8.400709\n5.940498 5.952421 -8.400709\nMg Zn Hg\n2 1 1\ndirect\n0.751159 0.000000 0.751159 Mg\n0.248841 0.000000 0.248841 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
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]
}