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{
"id": "jvasp-69634",
"created_at": "2022-09-04T14:35:42.401322Z",
"updated_at": "2022-09-04T14:35:42.401342Z",
"structure_string": "Ta1 Mn1 Be2\n1.0\n3.516378 0.000000 0.000000\n0.000000 3.516378 0.000000\n-0.000000 0.000000 3.778736\nTa Mn Be\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
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{
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"structure_string": "Ho4 Ni4 B16\n1.0\n6.261097 -0.007734 -2.647591\n-2.753797 5.622988 -2.647591\n0.004831 0.007734 6.797871\nHo Ni B\n4 4 16\ndirect\n0.794804 0.794805 0.000001 Ho\n0.205196 0.205196 0.000000 Ho\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.271278 0.500000 0.771278 Ni\n0.728722 0.500001 0.228722 Ni\n0.500000 0.728722 0.228722 Ni\n0.500000 0.271278 0.771278 Ni\n0.418890 0.418890 0.531542 B\n0.887348 0.887348 0.468458 B\n0.581111 0.112653 0.000000 B\n0.112652 0.581111 0.000000 B\n0.581111 0.581111 0.468458 B\n0.112652 0.112652 0.531542 B\n0.888942 0.724983 0.613925 B\n0.724983 0.111059 0.836042 B\n0.888942 0.275018 0.163959 B\n0.111058 0.724983 0.836041 B\n0.887348 0.418890 0.000001 B\n0.275017 0.888942 0.163959 B\n0.724983 0.888942 0.613925 B\n0.275017 0.111059 0.386076 B\n0.111059 0.275017 0.386076 B\n0.418890 0.887348 0.000000 B\n",
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"formula_full": "Ho4 Ni4 B16",
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{
"id": "jvasp-107748",
"created_at": "2022-09-04T14:36:05.156980Z",
"updated_at": "2022-09-04T14:36:05.156998Z",
"structure_string": "Mn2 Mo2 As4\n1.0\n3.402321 0.000000 0.000000\n0.000000 5.908901 0.000000\n0.000000 0.000000 6.388228\nMn Mo As\n2 2 4\ndirect\n0.500000 0.249077 0.689176 Mn\n-0.000000 0.750923 0.189175 Mn\n0.500000 0.743684 0.807740 Mo\n-0.000000 0.256316 0.307740 Mo\n0.500000 0.043795 0.077693 As\n0.500000 0.558294 0.425391 As\n-0.000000 0.441706 0.925391 As\n-0.000000 0.956205 0.577693 As\n",
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"density_atomic": 0.062291326532935364,
"volume": 128.42879491047844,
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"formula_full": "Mn2 Mo2 As4",
"formula_reduced": "MnMoAs2",
"formula_anonymous": "ABC2",
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"spacegroup": 31
},
{
"id": "jvasp-41924",
"created_at": "2022-09-04T14:37:34.898879Z",
"updated_at": "2022-09-04T14:37:34.898912Z",
"structure_string": "Li1 Hf1 Ir2\n1.0\n-0.000000 3.124805 3.124805\n3.124805 0.000000 3.124805\n3.124805 3.124805 -0.000000\nLi Hf Ir\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Li\n0.250001 0.250001 0.250001 Hf\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.065548269870448,
"volume": 61.02373118170391,
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"formula_full": "Li1 Hf1 Ir2",
"formula_reduced": "LiHfIr2",
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},
{
"id": "jvasp-36174",
"created_at": "2022-09-04T14:37:10.771581Z",
"updated_at": "2022-09-04T14:37:10.771599Z",
"structure_string": "Cr1 Co3\n1.0\n3.475184 0.000000 -0.000000\n-0.000000 3.475184 -0.000000\n0.000000 0.000000 3.475184\nCr Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.499999 0.000000 Co\n0.499999 0.000000 0.499999 Co\n0.000000 0.499999 0.499999 Co\n",
"nsites": 4,
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{
"id": "jvasp-37461",
"created_at": "2022-09-04T14:38:31.708245Z",
"updated_at": "2022-09-04T14:38:31.708279Z",
"structure_string": "Sm2 Mn6\n1.0\n2.994208 -5.186122 0.000000\n2.994208 5.186122 0.000000\n0.000000 0.000000 4.581759\nSm Mn\n2 6\ndirect\n0.666667 0.333333 0.750000 Sm\n0.333333 0.666667 0.250000 Sm\n0.853697 0.707394 0.250000 Mn\n0.292607 0.146304 0.250000 Mn\n0.853696 0.146304 0.250000 Mn\n0.146304 0.292607 0.750000 Mn\n0.707394 0.853697 0.750000 Mn\n0.146304 0.853696 0.750000 Mn\n",
"nsites": 8,
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"volume": 142.29411296724263,
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{
"id": "jvasp-40622",
"created_at": "2022-09-04T14:37:49.667802Z",
"updated_at": "2022-09-04T14:37:49.667817Z",
"structure_string": "Er1 Pa1 Ru2\n1.0\n0.000000 3.407099 3.407099\n3.407099 0.000000 3.407099\n3.407099 3.407099 0.000000\nEr Pa Ru\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Er\n0.750000 0.750000 0.750000 Pa\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
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"volume": 79.10141542985998,
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"formula_full": "Er1 Pa1 Ru2",
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"spacegroup": 225
},
{
"id": "jvasp-106250",
"created_at": "2022-09-04T14:38:18.167559Z",
"updated_at": "2022-09-04T14:38:18.167573Z",
"structure_string": "Hf1 Ge1 Ru2\n1.0\n3.831681 -0.000000 2.212221\n1.277227 3.612543 2.212221\n0.000000 0.000000 4.424444\nHf Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.499999 Ge\n0.750001 0.749999 0.749999 Ru\n0.250000 0.250000 0.250000 Ru\n",
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"elements": [
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},
{
"id": "jvasp-81829",
"created_at": "2022-09-04T14:37:18.231070Z",
"updated_at": "2022-09-04T14:37:18.231098Z",
"structure_string": "Li1 Mn1 Ir2\n1.0\n-8.801534 0.000000 -5.081567\n-5.590770 -0.969566 -0.479638\n-4.340376 2.567079 -2.645383\nLi Mn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 -0.000001 -0.000000 Mn\n0.718321 -0.000001 -0.000000 Ir\n0.281680 -0.000001 -0.000000 Ir\n",
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"spacegroup": 71
},
{
"id": "jvasp-112110",
"created_at": "2022-09-04T14:38:44.831264Z",
"updated_at": "2022-09-04T14:38:44.831291Z",
"structure_string": "Zn1 H2 C3 O4\n1.0\n4.343760 0.111790 0.344744\n1.245361 3.834748 0.853023\n-0.054789 0.462450 6.016452\nZn H C O\n1 2 3 4\ndirect\n0.484773 0.094919 0.392752 Zn\n0.198986 0.692961 0.921745 H\n0.764482 0.893899 0.855463 H\n0.032692 0.506562 0.672677 C\n0.976553 0.648540 0.884368 C\n0.909244 0.373882 0.091193 C\n-0.184009 0.622858 0.512667 O\n0.305334 0.261007 0.666613 O\n0.133525 0.098782 0.202823 O\n0.609336 0.434251 0.138908 O\n",
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"formula_full": "Zn1 H2 C3 O4",
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"formula_anonymous": "AB2C3D4",
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"spacegroup": 1
},
{
"id": "jvasp-106093",
"created_at": "2022-09-04T14:36:07.054215Z",
"updated_at": "2022-09-04T14:36:07.054237Z",
"structure_string": "Dy1 Er1 Mn4\n1.0\n4.389576 0.000000 2.534323\n1.463192 4.138533 2.534323\n0.000000 0.000000 5.068647\nDy Er Mn\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Er\n0.625068 0.625067 0.124796 Mn\n0.625068 0.124797 0.625067 Mn\n0.124797 0.625067 0.625067 Mn\n0.625068 0.625067 0.625067 Mn\n",
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"spacegroup": 216
},
{
"id": "jvasp-48232",
"created_at": "2022-09-04T14:35:44.608969Z",
"updated_at": "2022-09-04T14:35:44.608994Z",
"structure_string": "Li1 Mn7 O12\n1.0\n4.969881 0.019429 -0.069343\n2.486976 4.302911 0.069343\n-0.916316 1.580819 9.664281\nLi Mn O\n1 7 12\ndirect\n0.928693 0.928693 0.750000 Li\n0.072940 0.072940 0.250000 Mn\n0.254861 0.254861 0.750000 Mn\n0.418251 0.418251 0.250000 Mn\n0.579459 0.579459 0.750000 Mn\n0.520072 -0.001037 0.509680 Mn\n0.744485 0.744485 0.250000 Mn\n-0.001037 0.520073 0.990320 Mn\n0.710190 0.455791 0.143619 O\n0.625860 0.854117 0.862609 O\n0.455791 0.710190 0.356381 O\n0.776736 0.032458 0.360405 O\n0.244581 0.966230 0.636704 O\n0.032458 0.776736 0.139595 O\n0.346015 0.144183 0.139698 O\n0.299297 0.527134 0.856220 O\n0.966229 0.244581 0.863296 O\n0.144183 0.346015 0.360302 O\n0.527134 0.299297 0.643780 O\n0.854116 0.625860 0.637390 O\n",
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