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{
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{
"id": "jvasp-30508",
"created_at": "2022-09-04T14:37:13.426500Z",
"updated_at": "2022-09-04T14:37:13.426530Z",
"structure_string": "Cu1 Br1 O2\n1.0\n1.269745 2.470907 1.186947\n0.037483 -0.231685 -3.402308\n-5.539154 2.383508 0.963722\nCu Br O\n1 1 2\ndirect\n0.500001 -0.000000 -0.000000 Cu\n0.000001 0.000001 0.500000 Br\n0.088877 0.177751 0.836081 O\n0.911128 0.822251 0.163918 O\n",
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{
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"structure_string": "Li2 Sb1 Pd1\n1.0\n3.906637 0.000000 2.255497\n1.302212 3.683212 2.255497\n0.000000 0.000000 4.510995\nLi Sb Pd\n2 1 1\ndirect\n0.500000 0.500000 0.500001 Li\n0.750000 0.750000 0.750002 Li\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250001 Pd\n",
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{
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"structure_string": "Ba4 Ir1 Se1\n1.0\n0.000000 4.730124 4.730124\n4.730124 0.000000 4.730124\n4.730124 4.730124 0.000000\nBa Ir Se\n4 1 1\ndirect\n0.126278 0.624574 0.624574 Ba\n0.624574 0.624574 0.624574 Ba\n0.624574 0.126278 0.624574 Ba\n0.624574 0.624574 0.126278 Ba\n0.250000 0.250000 0.250000 Ir\n0.000000 0.000000 0.000000 Se\n",
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"spacegroup": 216
},
{
"id": "jvasp-10970",
"created_at": "2022-09-04T14:37:18.117913Z",
"updated_at": "2022-09-04T14:37:18.117944Z",
"structure_string": "Sb1 S2 N1 F6\n1.0\n5.300394 0.000578 0.045173\n0.031602 5.394549 2.162951\n0.001087 0.045298 5.811924\nSb S N F\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.373466 0.638547 0.638546 S\n0.626534 0.361453 0.361452 S\n0.500000 0.500000 0.499999 N\n0.300402 0.109635 0.109635 F\n0.699598 0.890366 0.890364 F\n0.857732 0.328283 0.908573 F\n0.142268 0.091426 0.671717 F\n0.142268 0.671718 0.091426 F\n0.857731 0.908575 0.328281 F\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.06036384208757457,
"volume": 165.66208601321657,
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"formula_full": "Sb1 S2 N1 F6",
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{
"id": "jvasp-41866",
"created_at": "2022-09-04T14:37:39.255393Z",
"updated_at": "2022-09-04T14:37:39.255402Z",
"structure_string": "Sc2 Ga1 Ag1\n1.0\n-0.000000 3.385126 3.385126\n3.385126 0.000000 3.385126\n3.385126 3.385126 0.000000\nSc Ga Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 Sc\n0.750001 0.750001 0.750001 Ga\n0.249999 0.249999 0.249999 Ag\n",
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{
"id": "jvasp-46817",
"created_at": "2022-09-04T14:38:10.327503Z",
"updated_at": "2022-09-04T14:38:10.327528Z",
"structure_string": "Li20 Sb4 S4\n1.0\n0.000000 6.110993 -0.003340\n9.694719 0.000000 0.000000\n0.000000 -0.004324 -8.127220\nLi Sb S\n20 4 4\ndirect\n-0.000170 0.165394 0.426008 Li\n0.000171 0.665394 0.573992 Li\n0.755368 0.986688 0.199345 Li\n0.744665 0.227836 0.699392 Li\n0.736026 0.937979 0.589317 Li\n0.763996 0.276486 0.089282 Li\n0.735340 0.438198 0.411247 Li\n0.744471 0.727864 0.300814 Li\n0.755459 0.486674 0.800761 Li\n0.499907 0.549075 0.074059 Li\n0.764660 0.776290 0.911226 Li\n0.244541 0.986674 0.199239 Li\n0.500093 0.049075 0.925941 Li\n0.255335 0.727836 0.300608 Li\n0.263974 0.437979 0.410683 Li\n0.236005 0.776486 0.910718 Li\n0.244632 0.486688 0.800654 Li\n0.235340 0.276290 0.088774 Li\n0.255530 0.227864 0.699186 Li\n0.264660 0.938199 0.588753 Li\n0.000097 0.031588 0.882451 Sb\n0.500069 0.682904 0.617514 Sb\n0.499931 0.182904 0.382486 Sb\n-0.000096 0.531588 0.117549 Sb\n0.499983 0.319868 0.892832 S\n0.999992 0.394655 0.607188 S\n0.500017 0.819868 0.107168 S\n0.000008 0.894655 0.392812 S\n",
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{
"id": "jvasp-69120",
"created_at": "2022-09-04T14:35:41.367507Z",
"updated_at": "2022-09-04T14:35:41.367536Z",
"structure_string": "Ba2 Cr1 Br1\n1.0\n0.000000 4.179190 4.179190\n4.179190 0.000000 4.179190\n4.179190 4.179190 0.000000\nBa Cr Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Br\n",
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"spacegroup": 225
},
{
"id": "jvasp-41738",
"created_at": "2022-09-04T14:37:38.772027Z",
"updated_at": "2022-09-04T14:37:38.772037Z",
"structure_string": "Cd1 Sn1 Rh2\n1.0\n-0.000000 3.229564 3.229564\n3.229564 -0.000000 3.229564\n3.229564 3.229564 0.000000\nCd Sn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Cd\n0.749999 0.749999 0.749999 Sn\n0.499998 0.499998 0.499998 Rh\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-91411",
"created_at": "2022-09-04T14:36:00.999015Z",
"updated_at": "2022-09-04T14:36:00.999025Z",
"structure_string": "Ba8 Sn4 S16\n1.0\n8.122023 0.000000 -2.722271\n0.000000 8.571933 0.000000\n-0.159548 0.000000 11.817070\nBa Sn S\n8 4 16\ndirect\n0.307417 0.804369 0.350063 Ba\n0.192583 0.304369 0.149937 Ba\n0.692583 0.195630 0.649937 Ba\n0.807416 0.695630 0.850063 Ba\n0.737533 0.874671 0.164399 Ba\n0.762467 0.374671 0.335601 Ba\n0.262467 0.125329 0.835601 Ba\n0.237533 0.625329 0.664399 Ba\n0.308866 0.686897 0.008707 Sn\n0.191133 0.186898 0.491293 Sn\n0.691133 0.313102 0.991293 Sn\n0.808866 0.813102 0.508707 Sn\n0.024572 0.307768 0.598955 S\n0.475427 0.807768 0.901045 S\n0.642730 0.614554 0.555102 S\n0.857270 0.114554 0.944898 S\n0.357270 0.385446 0.444898 S\n0.142730 0.885446 0.055102 S\n0.476048 0.600013 0.206254 S\n0.133984 0.481313 0.890193 S\n0.523951 0.399986 0.793746 S\n0.976048 0.899986 0.706254 S\n0.866016 0.518686 0.109807 S\n0.633984 0.018686 0.390194 S\n0.524572 0.192231 0.098955 S\n0.366016 0.981313 0.609806 S\n0.023951 0.100014 0.293746 S\n0.975427 0.692231 0.401045 S\n",
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{
"id": "jvasp-70448",
"created_at": "2022-09-04T14:35:48.809569Z",
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{
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"created_at": "2022-09-04T14:38:33.832498Z",
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"structure_string": "Ni4 Te4 Pd4\n1.0\n3.828000 -0.000000 0.000000\n0.000000 6.344913 0.000000\n0.000000 0.000000 8.468532\nNi Te Pd\n4 4 4\ndirect\n0.750000 0.988814 0.395068 Ni\n0.250000 0.488814 0.104932 Ni\n0.750000 0.511185 0.895068 Ni\n0.250000 0.011185 0.604932 Ni\n0.750000 0.738900 0.157492 Te\n0.250000 0.261099 0.842507 Te\n0.750000 0.761099 0.657492 Te\n0.250000 0.238900 0.342507 Te\n0.750000 0.347243 0.584748 Pd\n0.750000 0.152757 0.084748 Pd\n0.250000 0.652757 0.415252 Pd\n0.250000 0.847243 0.915252 Pd\n",
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{
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