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{
"id": "jvasp-15589",
"created_at": "2022-09-04T14:36:56.730878Z",
"updated_at": "2022-09-04T14:36:56.730893Z",
"structure_string": "Th1 Si2 Pd2\n1.0\n3.963159 0.000000 -1.541107\n-0.599272 3.917590 -1.541107\n-0.001651 -0.001923 5.862201\nTh Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.618448 0.618448 0.236895 Si\n0.381553 0.381553 0.763104 Si\n0.750000 0.250000 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
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{
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"structure_string": "Ba1 Cd2 P2\n1.0\n2.226951 -3.857192 0.000000\n2.226951 3.857192 0.000000\n0.000000 0.000000 7.594890\nBa Cd P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.632128 Cd\n0.666667 0.333333 0.367872 Cd\n0.333333 0.666667 0.264947 P\n0.666667 0.333333 0.735053 P\n",
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{
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"structure_string": "Y4 Ge4 Ru2\n1.0\n5.193908 0.003771 2.556545\n3.430411 3.899868 2.556545\n-0.018488 -0.008368 10.209986\nY Ge Ru\n4 4 2\ndirect\n0.816221 0.816222 0.111114 Y\n0.183779 0.183778 0.888885 Y\n0.001210 0.001210 0.326936 Y\n-0.001210 -0.001210 0.673065 Y\n0.645943 0.645944 0.434096 Ge\n0.354056 0.354056 0.565904 Ge\n0.514439 0.514439 0.123908 Ge\n0.485561 0.485560 0.876091 Ge\n0.727448 0.727448 0.629765 Ru\n0.272552 0.272552 0.370234 Ru\n",
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"formula_full": "Y4 Ge4 Ru2",
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"spacegroup": 12
},
{
"id": "jvasp-50967",
"created_at": "2022-09-04T14:36:46.182144Z",
"updated_at": "2022-09-04T14:36:46.182173Z",
"structure_string": "Tb4 Se2 O4\n1.0\n3.836647 0.000000 0.000000\n0.000000 3.836599 -0.000000\n0.000000 0.000000 12.125317\nTb Se O\n4 2 4\ndirect\n0.000000 0.000476 0.344948 Tb\n0.500000 0.499524 0.844948 Tb\n0.500000 0.500476 0.155052 Tb\n0.000000 -0.000476 0.655052 Tb\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.500000 0.000435 0.249995 O\n0.000000 0.499565 0.749996 O\n0.000000 0.500435 0.250005 O\n0.500000 -0.000435 0.750005 O\n",
"nsites": 10,
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"volume_molar": 10.748361281806583,
"formula_full": "Tb4 Se2 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-104649",
"created_at": "2022-09-04T14:36:56.849904Z",
"updated_at": "2022-09-04T14:36:56.849934Z",
"structure_string": "Pr4 Cd2 Au4\n1.0\n8.136595 -0.000000 0.000000\n0.000000 8.136595 0.000000\n-0.000000 -0.000000 3.928769\nPr Cd Au\n4 2 4\ndirect\n0.671823 0.171822 0.500000 Pr\n0.328178 0.828178 0.500000 Pr\n0.171822 0.328178 0.500000 Pr\n0.828178 0.671823 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.128161 0.628161 -0.000000 Au\n0.871840 0.371839 -0.000000 Au\n0.628161 0.871840 -0.000000 Au\n0.371839 0.128161 -0.000000 Au\n",
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"volume": 260.1009229591614,
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"spacegroup": 127
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{
"id": "jvasp-101631",
"created_at": "2022-09-04T14:36:46.640621Z",
"updated_at": "2022-09-04T14:36:46.640645Z",
"structure_string": "Ho4 Mg2 Ni4\n1.0\n7.279931 -0.000000 0.000000\n0.000000 7.279931 0.000000\n-0.000000 0.000000 3.669366\nHo Mg Ni\n4 2 4\ndirect\n0.670627 0.170627 0.500001 Ho\n0.329373 0.829373 0.500001 Ho\n0.170627 0.329373 0.500001 Ho\n0.829373 0.670627 0.500001 Ho\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.123885 0.623885 -0.000000 Ni\n0.876115 0.376115 -0.000000 Ni\n0.623885 0.876115 -0.000000 Ni\n0.376115 0.123885 -0.000000 Ni\n",
"nsites": 10,
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"density": 8.053108139089533,
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{
"id": "jvasp-15283",
"created_at": "2022-09-04T14:36:57.368600Z",
"updated_at": "2022-09-04T14:36:57.368633Z",
"structure_string": "Ho1 Si2 Rh2\n1.0\n3.800845 0.000000 -1.435934\n-0.542486 3.761932 -1.435934\n-0.000612 -0.000706 5.746669\nHo Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.621216 0.621217 0.242436 Si\n0.378782 0.378781 0.757565 Si\n0.249999 0.749999 0.500000 Rh\n0.749999 0.249999 0.500000 Rh\n",
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"elements": [
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"volume": 82.16115502519348,
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"formula_full": "Ho1 Si2 Rh2",
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{
"id": "jvasp-15976",
"created_at": "2022-09-04T14:36:56.785014Z",
"updated_at": "2022-09-04T14:36:56.785042Z",
"structure_string": "Ba1 Mg2 Ge2\n1.0\n4.354034 -0.000000 -1.659227\n-0.632295 4.307878 -1.659227\n0.033971 0.039322 6.631542\nBa Mg Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.250000 0.499999 Mg\n0.249999 0.750000 0.499999 Mg\n0.616636 0.616637 0.233273 Ge\n0.383362 0.383363 0.766725 Ge\n",
"nsites": 5,
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{
"id": "jvasp-13419",
"created_at": "2022-09-04T14:36:56.779816Z",
"updated_at": "2022-09-04T14:36:56.779841Z",
"structure_string": "Sb8 S8 O4\n1.0\n5.880775 -0.056147 0.051646\n-2.787334 7.707246 0.003921\n-2.522330 -3.091309 10.002770\nSb S O\n8 8 4\ndirect\n0.336161 0.355844 0.100574 Sb\n0.663840 0.644157 0.899427 Sb\n0.360874 0.870282 0.134372 Sb\n0.639128 0.129718 0.865628 Sb\n0.982553 0.338440 0.367791 Sb\n0.017449 0.661560 0.632209 Sb\n0.963853 0.832028 0.366446 Sb\n0.036149 0.167972 0.633554 Sb\n0.482625 0.705307 0.304913 S\n0.517377 0.294694 0.695087 S\n0.497977 0.191291 0.298284 S\n0.502025 0.808709 0.701716 S\n0.225168 0.524292 0.912866 S\n0.774685 0.954688 0.087492 S\n0.774833 0.475708 0.087134 S\n0.225317 0.045313 0.912508 S\n0.961152 0.099584 0.430795 O\n0.926456 0.586788 0.428710 O\n0.073546 0.413212 0.571291 O\n0.038849 0.900416 0.569205 O\n",
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"density": 4.742119976664352,
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{
"id": "jvasp-105324",
"created_at": "2022-09-04T14:36:56.865996Z",
"updated_at": "2022-09-04T14:36:56.866016Z",
"structure_string": "Tm4 Cd2 Pd4\n1.0\n7.657353 -0.000000 0.000000\n0.000000 7.657353 0.000000\n-0.000000 -0.000000 3.627285\nTm Cd Pd\n4 2 4\ndirect\n0.669711 0.169712 0.499999 Tm\n0.330288 0.830288 0.499999 Tm\n0.169712 0.330288 0.499999 Tm\n0.830288 0.669711 0.499999 Tm\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.130131 0.630131 -0.000000 Pd\n0.869868 0.369869 -0.000000 Pd\n0.630131 0.869868 -0.000000 Pd\n0.369869 0.130131 -0.000000 Pd\n",
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{
"id": "jvasp-119915",
"created_at": "2022-09-04T14:38:51.994514Z",
"updated_at": "2022-09-04T14:38:51.994550Z",
"structure_string": "B1 H2 O2\n1.0\n2.486094 0.000000 -0.000000\n-1.243047 2.153021 0.000000\n0.000000 0.000000 5.507699\nB H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 B\n0.333332 0.666668 0.631904 H\n0.666665 0.333334 0.368095 H\n0.333332 0.666668 0.843321 O\n0.666665 0.333334 0.156679 O\n",
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"spacegroup": 164
},
{
"id": "jvasp-120397",
"created_at": "2022-09-04T14:38:53.280885Z",
"updated_at": "2022-09-04T14:38:53.280910Z",
"structure_string": "Li2 Au1 O2\n1.0\n-1.629349 1.832553 4.733277\n1.629349 -1.832553 4.733277\n1.629349 1.832553 -4.733277\nLi Au O\n2 1 2\ndirect\n0.206138 0.706138 0.499999 Li\n0.793861 0.293862 0.500000 Li\n0.500000 0.000000 0.500000 Au\n0.653052 0.653052 0.000000 O\n0.346948 0.346948 0.000000 O\n",
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