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{
"id": "jvasp-114324",
"created_at": "2022-09-04T14:38:40.480900Z",
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"structure_string": "La1 H2\n1.0\n3.808466 0.599568 -1.044586\n-1.543975 -3.681866 -0.106575\n1.101231 -0.350916 -3.823166\nLa H\n1 2\ndirect\n0.068633 0.784440 0.074092 La\n0.568767 0.534585 0.824094 H\n0.568681 0.034507 0.324120 H\n",
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{
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"structure_string": "Ca1 O2\n1.0\n3.800571 -1.074178 0.243078\n0.908757 -3.350469 -0.529509\n-1.499544 0.827684 -3.236982\nCa O\n1 2\ndirect\n0.053383 -0.177252 0.077813 Ca\n0.251211 0.143515 0.754428 O\n-0.144439 0.502037 0.401217 O\n",
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{
"id": "jvasp-116276",
"created_at": "2022-09-04T14:38:41.075793Z",
"updated_at": "2022-09-04T14:38:41.075824Z",
"structure_string": "Li1 H2\n1.0\n2.943065 -0.326742 0.096669\n1.391103 -2.842867 -0.045487\n0.788057 -1.337711 -2.521500\nLi H\n1 2\ndirect\n0.055675 0.923934 0.899134 Li\n0.555785 0.173920 0.399318 H\n0.555592 0.674029 0.398922 H\n",
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"elements": [
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"volume": 19.819951344976126,
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"spacegroup": 139
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{
"id": "jvasp-116254",
"created_at": "2022-09-04T14:38:41.356922Z",
"updated_at": "2022-09-04T14:38:41.356939Z",
"structure_string": "Li2 Au1\n1.0\n2.983006 0.000000 0.000000\n0.000000 2.735653 0.000000\n0.000000 0.000000 6.645436\nLi Au\n2 1\ndirect\n-0.033348 0.000000 0.688959 Li\n-0.033348 0.000000 0.311041 Li\n0.466697 0.000000 0.000000 Au\n",
"nsites": 3,
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"elements": [
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"density": 6.456261902884909,
"density_atomic": 0.055320059548568216,
"volume": 54.22987654896054,
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"formula_full": "Li2 Au1",
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{
"id": "jvasp-114470",
"created_at": "2022-09-04T14:38:41.164071Z",
"updated_at": "2022-09-04T14:38:41.164089Z",
"structure_string": "B1 Br2\n1.0\n4.033825 0.000000 0.000000\n0.000000 3.853084 0.000000\n0.000000 0.000000 6.927600\nB Br\n1 2\ndirect\n0.288971 0.000000 0.000000 B\n0.055515 0.000000 0.763439 Br\n0.055515 0.000000 0.236562 Br\n",
"nsites": 3,
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"elements": [
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"density": 2.6312866109417863,
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"volume": 107.6733769046999,
"volume_molar": 21.614141060821193,
"formula_full": "B1 Br2",
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"spacegroup": 25
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{
"id": "jvasp-54919",
"created_at": "2022-09-04T14:38:33.692515Z",
"updated_at": "2022-09-04T14:38:33.692539Z",
"structure_string": "Tm2 Pt4\n1.0\n4.674426 0.000000 2.698781\n1.558142 4.407092 2.698781\n0.000000 0.000000 5.397563\nTm Pt\n2 4\ndirect\n0.875000 0.875000 0.874999 Tm\n0.125000 0.125000 0.125000 Tm\n0.500000 -0.000000 0.499999 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n",
"nsites": 6,
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"elements": [
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"density": 16.69906581355016,
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"volume": 111.19317359346586,
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"formula_full": "Tm2 Pt4",
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"spacegroup": 227
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{
"id": "jvasp-111409",
"created_at": "2022-09-04T14:38:40.504273Z",
"updated_at": "2022-09-04T14:38:40.504317Z",
"structure_string": "U4 As8\n1.0\n3.906432 0.000000 0.000000\n0.000000 7.122171 0.000000\n0.000000 0.000000 9.439344\nU As\n4 8\ndirect\n0.250000 0.206582 0.649128 U\n0.250000 0.706582 0.850871 U\n0.750000 0.793418 0.350872 U\n0.750000 0.293418 0.149128 U\n0.250000 0.106802 0.953329 As\n0.250000 0.606802 0.546671 As\n0.750000 0.893198 0.046671 As\n0.750000 0.393198 0.453329 As\n0.250000 0.094388 0.331562 As\n0.250000 0.594388 0.168438 As\n0.750000 0.905612 0.668437 As\n0.750000 0.405612 0.831562 As\n",
"nsites": 12,
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"elements": [
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"density": 9.809867974826432,
"density_atomic": 0.045692694276345196,
"volume": 262.6240406710339,
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{
"id": "jvasp-116305",
"created_at": "2022-09-04T14:38:41.230090Z",
"updated_at": "2022-09-04T14:38:41.230127Z",
"structure_string": "Li2 Se1\n1.0\n9.091301 -0.000000 0.000000\n-0.000000 9.091301 0.000000\n0.000000 -0.000000 11.224076\nLi Se\n2 1\ndirect\n0.000000 0.000000 0.194737 Li\n0.000000 0.000000 0.805263 Li\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
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"volume": 927.6895669993679,
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"formula_full": "Li2 Se1",
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"spacegroup": 123
},
{
"id": "jvasp-114465",
"created_at": "2022-09-04T14:38:41.141738Z",
"updated_at": "2022-09-04T14:38:41.141774Z",
"structure_string": "B2 Br1\n1.0\n8.328137 0.000000 -4.397166\n0.000000 3.421533 0.000000\n-5.119897 0.000000 4.749852\nB Br\n2 1\ndirect\n-0.212842 0.000000 -0.331060 B\n0.292830 0.000000 0.173670 B\n0.082231 0.000000 0.345612 Br\n",
"nsites": 3,
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"density": 2.8908423092075126,
"density_atomic": 0.051442170400766166,
"volume": 58.31791265081068,
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"formula_full": "B2 Br1",
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"spacegroup": 6
},
{
"id": "jvasp-114749",
"created_at": "2022-09-04T14:38:41.105162Z",
"updated_at": "2022-09-04T14:38:41.105179Z",
"structure_string": "Cd2 F1\n1.0\n3.053731 0.000000 0.173021\n0.000000 2.992262 0.000000\n-0.378252 0.000000 6.769420\nCd F\n2 1\ndirect\n-0.032500 0.000000 -0.145062 Cd\n-0.034112 0.000000 0.411699 Cd\n0.466613 0.000000 0.133362 F\n",
"nsites": 3,
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"density": 6.5247597380773055,
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"volume": 62.051833477483775,
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{
"id": "jvasp-116213",
"created_at": "2022-09-04T14:38:41.096884Z",
"updated_at": "2022-09-04T14:38:41.096908Z",
"structure_string": "P2 Ir1\n1.0\n4.953179 0.000000 0.000000\n0.000000 3.764598 0.000000\n0.000000 0.000000 2.822853\nP Ir\n2 1\ndirect\n0.282131 -0.049336 0.000000 P\n0.717869 -0.049336 0.000000 P\n0.000000 0.450672 0.000000 Ir\n",
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"volume": 52.63697138914928,
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},
{
"id": "jvasp-30830",
"created_at": "2022-09-04T14:38:33.719623Z",
"updated_at": "2022-09-04T14:38:33.719654Z",
"structure_string": "Be8 Cr4\n1.0\n2.101741 -3.640321 0.000000\n2.101741 3.640321 -0.000000\n-0.000000 -0.000000 6.892198\nBe Cr\n8 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.829995 0.659990 0.250000 Be\n0.170004 0.829995 0.750000 Be\n0.659990 0.829995 0.750000 Be\n0.340010 0.170004 0.250000 Be\n0.829995 0.170004 0.250000 Be\n0.170004 0.340010 0.750000 Be\n0.333333 0.666667 0.061578 Cr\n0.666667 0.333333 0.561578 Cr\n0.666667 0.333333 0.938422 Cr\n0.333333 0.666667 0.438422 Cr\n",
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