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{
"id": "jvasp-100890",
"created_at": "2022-09-04T14:36:41.415510Z",
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"structure_string": "Na2 Ga1 Cu1 F6\n1.0\n4.956027 -0.000000 2.861364\n1.652009 4.672587 2.861364\n-0.000000 -0.000000 5.722727\nNa Ga Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Cu\n0.236927 0.236927 0.763073 F\n0.236927 0.763073 0.763072 F\n0.763073 0.763073 0.236926 F\n0.236927 0.763073 0.236926 F\n0.763073 0.236927 0.763072 F\n0.763073 0.236927 0.236926 F\n",
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{
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"structure_string": "Rb4 Ca4 Br12\n1.0\n4.355302 -0.000000 0.000000\n0.000000 9.504092 0.000000\n0.000000 0.000000 15.952080\nRb Ca Br\n4 4 12\ndirect\n0.750000 0.077579 0.323767 Rb\n0.250000 0.922420 0.676233 Rb\n0.750000 0.577579 0.176233 Rb\n0.250000 0.422420 0.823767 Rb\n0.250000 0.169089 0.057635 Ca\n0.750000 0.830910 0.942365 Ca\n0.250000 0.669090 0.442365 Ca\n0.750000 0.330910 0.557635 Ca\n0.750000 0.701458 0.784843 Br\n0.250000 0.298541 0.215157 Br\n0.750000 0.476567 0.395177 Br\n0.250000 0.523433 0.604823 Br\n0.750000 0.976567 0.104823 Br\n0.250000 0.663672 0.008420 Br\n0.250000 0.163671 0.491580 Br\n0.750000 0.836328 0.508420 Br\n0.250000 0.798541 0.284843 Br\n0.750000 0.336329 0.991580 Br\n0.250000 0.023433 0.895177 Br\n0.750000 0.201458 0.715157 Br\n",
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{
"id": "jvasp-69982",
"created_at": "2022-09-04T14:35:53.984930Z",
"updated_at": "2022-09-04T14:35:53.984953Z",
"structure_string": "Sr1 Y1 Be2\n1.0\n3.205941 0.000000 0.000000\n0.000000 3.205941 0.000000\n0.000000 -0.000000 8.555904\nSr Y Be\n1 1 2\ndirect\n0.000000 0.000000 0.439527 Sr\n0.500000 0.500000 0.831740 Y\n0.000000 0.000000 0.064126 Be\n0.500000 0.500000 0.164606 Be\n",
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"spacegroup": 99
},
{
"id": "jvasp-56684",
"created_at": "2022-09-04T14:38:34.617469Z",
"updated_at": "2022-09-04T14:38:34.617505Z",
"structure_string": "Mn2 B8 O14\n1.0\n5.221025 0.000000 -0.000000\n0.000000 5.687321 -2.937849\n-0.000000 -0.003679 6.401293\nMn B O\n2 8 14\ndirect\n0.750001 0.775231 0.775231 Mn\n0.250000 0.224769 0.224769 Mn\n0.750001 0.319795 0.081839 B\n0.250000 0.918160 0.680204 B\n0.000000 0.706034 0.293965 B\n0.000000 0.293965 0.706034 B\n0.500000 0.293965 0.706034 B\n0.750001 0.081839 0.319795 B\n0.250000 0.680205 0.918160 B\n0.500000 0.706034 0.293965 B\n0.250000 0.757240 0.190495 O\n0.976288 0.453520 0.189167 O\n0.476287 0.810833 0.546479 O\n0.523714 0.453520 0.189167 O\n0.750001 0.809505 0.242759 O\n0.976288 0.189167 0.453520 O\n0.750001 0.094515 0.094515 O\n0.523714 0.189167 0.453520 O\n0.250000 0.190495 0.757240 O\n0.750001 0.242759 0.809504 O\n0.023713 0.546479 0.810832 O\n0.250000 0.905484 0.905484 O\n0.476287 0.546479 0.810832 O\n0.023713 0.810833 0.546479 O\n",
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{
"id": "jvasp-117621",
"created_at": "2022-09-04T14:38:36.229416Z",
"updated_at": "2022-09-04T14:38:36.229436Z",
"structure_string": "Ba1 Se1\n1.0\n5.157240 -0.232885 0.364737\n2.346908 -4.568776 0.568612\n0.120099 -3.355455 -3.937401\nBa Se\n1 1\ndirect\n0.927562 0.974123 0.999276 Ba\n0.677516 0.474161 0.249173 Se\n",
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"elements": [
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{
"id": "jvasp-10972",
"created_at": "2022-09-04T14:37:13.125521Z",
"updated_at": "2022-09-04T14:37:13.125548Z",
"structure_string": "Sr4 Ca4 Ge4\n1.0\n4.936890 -0.000000 0.000000\n0.000000 8.075966 0.000000\n0.000000 0.000000 9.086041\nSr Ca Ge\n4 4 4\ndirect\n0.250000 0.521517 0.179389 Sr\n0.250000 0.021517 0.320611 Sr\n0.750000 0.978483 0.679388 Sr\n0.750000 0.478483 0.820611 Sr\n0.750000 0.852051 0.074820 Ca\n0.250000 0.147949 0.925179 Ca\n0.750000 0.352051 0.425179 Ca\n0.250000 0.647950 0.574820 Ca\n0.750000 0.232565 0.104830 Ge\n0.250000 0.267435 0.604830 Ge\n0.250000 0.767435 0.895170 Ge\n0.750000 0.732566 0.395170 Ge\n",
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"density_atomic": 0.033125208554729425,
"volume": 362.26187014562083,
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"spacegroup": 62
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{
"id": "jvasp-115565",
"created_at": "2022-09-04T14:38:50.366887Z",
"updated_at": "2022-09-04T14:38:50.366914Z",
"structure_string": "Ba1 Y1 Cl1\n1.0\n5.680572 2.625856 0.000000\n3.109671 7.197844 0.000000\n0.000000 0.000000 3.615665\nBa Y Cl\n1 1 1\ndirect\n-0.054447 -0.043276 0.000000 Ba\n-0.054207 0.456471 0.000000 Y\n0.445809 -0.043550 0.000000 Cl\n",
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{
"id": "jvasp-113537",
"created_at": "2022-09-04T14:38:47.871922Z",
"updated_at": "2022-09-04T14:38:47.871949Z",
"structure_string": "Sn1 C1 O2\n1.0\n4.232225 0.000000 0.000000\n-0.000000 4.232225 -0.000000\n0.000000 0.000000 4.107409\nSn C O\n1 1 2\ndirect\n0.499999 0.499999 0.687731 Sn\n0.000000 0.000000 0.924248 C\n0.000000 0.000000 0.204260 O\n0.499999 0.499999 0.193761 O\n",
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},
{
"id": "jvasp-100696",
"created_at": "2022-09-04T14:36:55.444149Z",
"updated_at": "2022-09-04T14:36:55.444171Z",
"structure_string": "Rb3 Sb1 F6\n1.0\n5.890716 -0.000000 3.401007\n1.963572 5.553820 3.401007\n-0.000000 -0.000000 6.802013\nRb Sb F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.771871 0.228130 0.228130 F\n0.228130 0.228130 0.771870 F\n0.228130 0.771870 0.771871 F\n0.228130 0.771870 0.228130 F\n0.771871 0.228130 0.771870 F\n0.771871 0.771870 0.228130 F\n",
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{
"id": "jvasp-44032",
"created_at": "2022-09-04T14:35:46.732298Z",
"updated_at": "2022-09-04T14:35:46.732324Z",
"structure_string": "Li2 Fe4 F10\n1.0\n3.838679 -0.000000 0.000000\n-1.919340 5.372286 -0.000000\n0.000000 0.000000 9.368314\nLi Fe F\n2 4 10\ndirect\n0.184051 0.368103 0.250000 Li\n0.815950 0.631898 0.750000 Li\n0.118583 0.237168 0.610972 Fe\n0.118583 0.237168 0.889027 Fe\n0.881417 0.762833 0.110972 Fe\n0.881417 0.762833 0.389027 Fe\n0.063579 0.127158 0.108954 F\n0.328790 0.657577 0.087342 F\n0.063579 0.127158 0.391046 F\n0.328790 0.657577 0.412658 F\n0.264307 0.528613 0.750000 F\n0.735694 0.471388 0.250000 F\n0.936422 0.872843 0.608953 F\n0.936422 0.872843 0.891046 F\n0.671211 0.342424 0.587342 F\n0.671211 0.342424 0.912657 F\n",
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"formula_full": "Li2 Fe4 F10",
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{
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"created_at": "2022-09-04T14:36:45.230495Z",
"updated_at": "2022-09-04T14:36:45.230524Z",
"structure_string": "Li4 Co4 Si4 O14\n1.0\n5.024869 0.000000 0.000000\n-2.512435 4.108665 0.000000\n0.000000 -0.000000 13.139484\nLi Co Si O\n4 4 4 14\ndirect\n0.343832 0.597091 0.583099 Li\n0.343832 0.597091 0.916901 Li\n0.746742 0.402907 0.083099 Li\n0.746742 0.402907 0.416901 Li\n0.025345 -0.000000 0.000000 Co\n0.025345 -0.000000 0.500000 Co\n0.003333 -0.004734 0.250000 Co\n0.008068 0.004734 0.750000 Co\n0.700124 0.304506 0.863154 Si\n0.700124 0.304506 0.636846 Si\n0.395616 0.695493 0.136846 Si\n0.395616 0.695493 0.363154 Si\n0.337549 0.210905 0.862952 O\n0.748473 0.024184 0.128927 O\n0.748473 0.024184 0.371073 O\n0.860919 0.487211 0.750000 O\n0.337549 0.210905 0.637047 O\n0.371910 0.441347 0.448684 O\n0.126642 0.789094 0.137047 O\n0.724287 0.975815 0.628927 O\n0.724287 0.975815 0.871073 O\n0.373708 0.512788 0.250000 O\n0.126642 0.789094 0.362953 O\n0.930563 0.558652 0.551316 O\n0.371910 0.441347 0.051316 O\n0.930563 0.558652 0.948683 O\n",
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"formula_full": "Li4 Co4 Si4 O14",
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{
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"created_at": "2022-09-04T14:37:38.532462Z",
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"structure_string": "Si2 Ge2 N4 O2\n1.0\n0.000000 5.398395 -0.002625\n5.022557 0.000000 0.000000\n0.000000 -2.443965 -4.827215\nSi Ge N O\n2 2 4 2\ndirect\n0.165866 0.314915 0.519812 Si\n0.834136 0.814916 0.480188 Si\n0.522047 0.316445 0.176114 Ge\n0.477955 0.816445 0.823886 Ge\n0.589736 0.674667 0.172460 N\n0.151212 0.653861 0.576277 N\n0.848790 0.153861 0.423723 N\n0.410266 0.174667 0.827540 N\n0.255340 0.244111 0.274354 O\n0.744662 0.744111 0.725646 O\n",
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}
]
}