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{
"id": "jvasp-112718",
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"updated_at": "2022-09-04T14:38:41.923971Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.976189 0.000202 0.000000\n-1.988195 5.453028 0.000000\n0.000000 -0.000000 10.817760\nCa Sn O\n2 4 10\ndirect\n0.807030 0.614035 0.750000 Ca\n0.192970 0.385966 0.250000 Ca\n0.131502 0.262970 0.563271 Sn\n0.868498 0.737031 0.436728 Sn\n0.868498 0.737031 0.063272 Sn\n0.131502 0.262970 0.936729 Sn\n0.801154 0.602353 0.250000 O\n0.198846 0.397648 0.750000 O\n0.305849 0.611716 0.053202 O\n0.694152 0.388285 0.946798 O\n0.694152 0.388285 0.553202 O\n0.305849 0.611716 0.446797 O\n-0.047809 -0.095441 0.609710 O\n0.047809 0.095440 0.390290 O\n-0.047809 -0.095441 0.890290 O\n0.047809 0.095440 0.109711 O\n",
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{
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"structure_string": "Li1 H2\n1.0\n3.385924 -0.456978 -0.607339\n-2.130006 -3.754848 0.870512\n1.296883 -1.233862 -1.766517\nLi H\n1 2\ndirect\n0.183821 0.108906 0.852716 Li\n0.042553 0.467703 0.494210 H\n0.325203 0.750131 0.211199 H\n",
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{
"id": "jvasp-116395",
"created_at": "2022-09-04T14:38:41.917867Z",
"updated_at": "2022-09-04T14:38:41.917893Z",
"structure_string": "Si1 Pb1 O3\n1.0\n3.737632 -0.000000 0.000000\n0.000000 3.737632 -0.000000\n-0.000000 0.000000 3.737632\nSi Pb O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Si\n0.000000 0.000000 0.000000 Pb\n0.000000 0.499999 0.499999 O\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n",
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"volume": 52.2143189916189,
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},
{
"id": "jvasp-115252",
"created_at": "2022-09-04T14:38:41.914254Z",
"updated_at": "2022-09-04T14:38:41.914277Z",
"structure_string": "Na1 Pt1 O1\n1.0\n4.194506 0.000000 0.000000\n0.000000 4.194506 0.000000\n-0.000000 0.000000 16.042169\nNa Pt O\n1 1 1\ndirect\n0.000000 0.000000 0.275601 Na\n0.000000 0.000000 0.605774 Pt\n0.000000 0.000000 0.152064 O\n",
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"volume": 282.24400569492417,
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},
{
"id": "jvasp-116227",
"created_at": "2022-09-04T14:38:41.912765Z",
"updated_at": "2022-09-04T14:38:41.912793Z",
"structure_string": "Na1 La1 O2\n1.0\n1.822355 1.052137 5.525155\n-1.822355 1.052137 5.525155\n-0.000000 -2.104274 5.525155\nNa La O\n1 1 2\ndirect\n0.500002 0.500002 0.499999 Na\n0.000000 0.000000 0.000000 La\n0.740956 0.740956 0.740953 O\n0.259047 0.259047 0.259045 O\n",
"nsites": 4,
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{
"id": "jvasp-112024",
"created_at": "2022-09-04T14:38:41.907832Z",
"updated_at": "2022-09-04T14:38:41.907857Z",
"structure_string": "Sn1 H20 C11 O6\n1.0\n4.709916 0.000782 -0.319345\n-0.311508 6.722392 -1.711199\n0.092480 -0.116277 10.391617\nSn H C O\n1 20 11 6\ndirect\n0.300060 0.597146 0.900496 Sn\n0.963099 0.815361 0.560646 H\n0.953231 0.584226 0.713374 H\n0.940222 0.873407 0.404645 H\n0.528352 0.100562 0.492126 H\n0.870419 0.180832 0.570212 H\n0.780590 0.038034 0.756139 H\n0.433353 0.945972 0.687186 H\n0.768293 0.104787 0.272400 H\n0.081979 0.194063 0.372903 H\n0.229174 0.558440 0.125485 H\n0.789706 0.468352 0.506555 H\n0.808540 0.199320 0.024415 H\n0.102141 0.078407 0.945991 H\n0.308281 0.236200 0.159892 H\n0.240431 0.989309 0.169560 H\n0.760684 0.437893 0.206507 H\n0.064772 0.518613 0.317956 H\n0.470581 0.719520 0.346022 H\n0.415984 0.715401 0.512152 H\n0.491497 0.379908 0.395288 H\n0.577553 0.697686 0.438341 C\n0.871642 0.419547 0.298617 C\n0.959881 0.082794 0.026913 C\n0.137497 0.126231 0.161337 C\n0.678180 0.484504 0.413810 C\n0.702241 0.063241 0.555926 C\n0.597044 0.063665 0.693426 C\n0.815428 0.859676 0.488349 C\n0.480961 0.258154 0.763506 C\n0.802894 0.883058 0.992382 C\n0.959882 0.203843 0.281206 C\n0.636358 0.422832 0.792418 O\n0.390624 0.523134 0.070571 O\n0.125562 0.670738 0.741222 O\n0.927430 0.726762 0.003528 O\n0.539161 0.873840 0.950278 O\n0.225952 0.268130 0.799287 O\n",
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"density": 1.8563632434009691,
"density_atomic": 0.11575816442072252,
"volume": 328.27058195125807,
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"formula_full": "Sn1 H20 C11 O6",
"formula_reduced": "SnH20C11O6",
"formula_anonymous": "AB6C11D20",
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"spacegroup": 1
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{
"id": "jvasp-111802",
"created_at": "2022-09-04T14:38:41.906559Z",
"updated_at": "2022-09-04T14:38:41.906586Z",
"structure_string": "Mn1 Ga2 Ni9\n1.0\n3.583934 0.000000 -0.000000\n0.000000 3.583934 -0.000000\n-0.000000 -0.000000 10.646347\nMn Ga Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000005 Mn\n0.000000 0.000000 0.333469 Ga\n0.000000 0.000000 0.666542 Ga\n0.499999 0.499999 0.000005 Ni\n0.499999 0.499999 0.332054 Ni\n0.499999 0.499999 0.667957 Ni\n0.499999 0.000000 0.164518 Ni\n0.499999 0.000000 0.500006 Ni\n0.499999 0.000000 0.835492 Ni\n0.000000 0.499999 0.164518 Ni\n0.000000 0.499999 0.500006 Ni\n0.000000 0.499999 0.835492 Ni\n",
"nsites": 12,
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],
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"density": 8.774881145218389,
"density_atomic": 0.08775272716092336,
"volume": 136.74788679779797,
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"formula_full": "Mn1 Ga2 Ni9",
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"formula_anonymous": "AB2C9",
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"spacegroup": 123
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{
"id": "jvasp-115229",
"created_at": "2022-09-04T14:38:41.903437Z",
"updated_at": "2022-09-04T14:38:41.903460Z",
"structure_string": "Mg1 O1\n1.0\n4.159167 0.469050 -0.398692\n2.321524 -1.865807 -0.173512\n1.880791 0.185472 -2.306944\nMg O\n1 1\ndirect\n0.044460 -0.034187 0.006480 Mg\n0.544463 0.965788 0.006512 O\n",
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"elements": [
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"volume": 18.82443380648657,
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{
"id": "jvasp-111952",
"created_at": "2022-09-04T14:38:41.902847Z",
"updated_at": "2022-09-04T14:38:41.902870Z",
"structure_string": "Li3 Mg1 Ni4 O8\n1.0\n5.032614 -0.017992 2.872763\n1.659577 4.751140 2.872763\n-0.025439 -0.017992 5.794768\nLi Mg Ni O\n3 1 4 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mg\n0.499999 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000001 Ni\n0.750821 0.266893 0.750821 O\n0.249179 0.733108 0.249178 O\n0.733107 0.249179 0.249178 O\n0.258773 0.258774 0.258773 O\n0.741226 0.741227 0.741226 O\n0.266892 0.750822 0.750821 O\n0.249178 0.249179 0.733108 O\n0.750821 0.750822 0.266892 O\n",
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{
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"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
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},
{
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"created_at": "2022-09-04T14:38:41.898365Z",
"updated_at": "2022-09-04T14:38:41.898396Z",
"structure_string": "Li1 Se2\n1.0\n5.045032 -0.000000 -0.000000\n-2.522516 4.369126 -0.000000\n-0.000000 -0.000000 2.864665\nLi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666667 0.000000 Se\n0.666665 0.333333 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:38:41.894962Z",
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"structure_string": "Li1 Te1 H1\n1.0\n4.567315 -0.000000 -0.000000\n-2.283658 3.955411 0.000000\n-0.000000 0.000000 3.202523\nLi Te H\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Li\n0.666668 0.333333 0.000000 Te\n0.000000 0.000000 0.000000 H\n",
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}