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{
"id": "jvasp-79645",
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"updated_at": "2022-09-04T14:37:17.873324Z",
"structure_string": "Pb2 S2\n1.0\n2.997403 2.979813 -0.215010\n2.997403 -2.979813 -0.215010\n0.854697 0.000000 -6.243965\nPb S\n2 2\ndirect\n0.212585 0.212585 0.234058 Pb\n0.787414 0.787414 0.765943 Pb\n0.691181 0.691181 0.212805 S\n0.308818 0.308818 0.787195 S\n",
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{
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{
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"structure_string": "Ag2 O4 F2\n1.0\n2.202499 2.979526 1.090538\n3.826485 -2.891051 0.170683\n0.390374 -0.648736 -5.855640\nAg O F\n2 4 2\ndirect\n0.651198 0.761777 0.302397 Ag\n0.348801 0.238222 0.697602 Ag\n0.847420 0.272855 0.023739 O\n0.176319 0.272855 0.023739 O\n0.823681 0.727144 -0.023739 O\n0.152580 0.727144 -0.023739 O\n0.754092 0.240068 0.508182 F\n0.245907 0.759930 0.491817 F\n",
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"formula_full": "Ag2 O4 F2",
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"formula_anonymous": "ABC2",
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{
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"created_at": "2022-09-04T14:37:18.221530Z",
"updated_at": "2022-09-04T14:37:18.221556Z",
"structure_string": "Ho5 Re2 O12\n1.0\n5.644477 0.000000 0.000000\n-2.822239 5.896186 -1.896348\n0.000000 -0.011661 7.499387\nHo Re O\n5 2 12\ndirect\n0.303051 0.606102 0.641185 Ho\n0.696950 0.393899 0.358815 Ho\n0.000000 0.000000 0.500000 Ho\n0.685503 0.371006 0.824271 Ho\n0.314498 0.628995 0.175729 Ho\n0.784839 0.000000 0.000000 Re\n0.215161 0.000000 0.000000 Re\n0.419836 0.332377 0.085298 O\n0.098571 0.692584 0.426935 O\n0.498832 0.997664 0.821012 O\n0.594013 0.692584 0.426935 O\n0.087459 0.667623 0.914702 O\n0.580164 0.667623 0.914702 O\n0.912542 0.332377 0.085298 O\n0.998583 0.997166 0.207386 O\n0.001418 0.002835 0.792615 O\n0.501169 0.002337 0.178989 O\n0.901429 0.307417 0.573065 O\n0.405988 0.307417 0.573065 O\n",
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{
"id": "jvasp-78524",
"created_at": "2022-09-04T14:37:18.369677Z",
"updated_at": "2022-09-04T14:37:18.369696Z",
"structure_string": "Mg1 Nb2\n1.0\n2.618891 1.377106 -0.685379\n2.618891 -1.377106 -0.685379\n0.054913 0.000000 -7.951167\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.171642 0.171642 0.335286 Nb\n0.828357 0.828357 0.664715 Nb\n",
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{
"id": "jvasp-57627",
"created_at": "2022-09-04T14:37:18.046284Z",
"updated_at": "2022-09-04T14:37:18.046311Z",
"structure_string": "Li8 Bi2 Pd1 O10\n1.0\n4.190368 0.000000 0.814926\n1.932621 4.790238 1.243365\n0.012999 0.020221 11.114116\nLi Bi Pd O\n8 2 1 10\ndirect\n0.620433 0.222347 0.536788 Li\n0.249973 0.407603 0.092451 Li\n0.079596 0.454231 0.386576 Li\n0.920404 0.545769 0.613425 Li\n0.750027 0.592397 0.907550 Li\n0.379568 0.777653 0.463213 Li\n0.545614 0.712091 0.196682 Li\n0.454386 0.287909 0.803319 Li\n0.185445 0.910178 0.718931 Bi\n0.814555 0.089822 0.281070 Bi\n0.000000 0.000000 0.000000 Pd\n0.962195 0.244491 0.831120 O\n0.673751 0.908192 0.744306 O\n0.326249 0.091808 0.255695 O\n0.405987 0.547796 0.640229 O\n0.594013 0.452204 0.359772 O\n0.211556 0.665336 0.911554 O\n0.037805 0.755510 0.168881 O\n0.131155 0.187991 0.549700 O\n0.868845 0.812009 0.450301 O\n0.788445 0.334664 0.088447 O\n",
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"density_atomic": 0.09418398505314618,
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{
"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",
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"volume": 165.66208601321657,
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"formula_full": "Sb1 S2 N1 F6",
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{
"id": "jvasp-11498",
"created_at": "2022-09-04T14:37:18.171122Z",
"updated_at": "2022-09-04T14:37:18.171154Z",
"structure_string": "Zn2 Bi3 O8\n1.0\n5.289457 -0.448031 -2.483770\n-1.028362 6.111930 -3.292498\n-1.068662 -0.512993 6.861197\nZn Bi O\n2 3 8\ndirect\n0.697019 0.663258 0.326516 Zn\n0.302982 0.336743 0.673485 Zn\n0.500000 0.999999 -0.000000 Bi\n0.000000 0.732490 -0.000000 Bi\n-0.000000 0.267510 -0.000000 Bi\n0.000630 0.371861 0.743721 O\n0.999371 0.628140 0.256281 O\n0.980289 0.880018 0.760036 O\n0.019712 0.119982 0.239966 O\n0.475885 0.376955 0.233303 O\n0.475886 0.856348 0.233302 O\n0.524116 0.143652 0.766699 O\n0.524116 0.623045 0.766699 O\n",
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{
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"structure_string": "Ti1 Cd1 Rh2\n1.0\n-10.866987 2.147798 -2.766718\n-7.657841 1.157757 0.511059\n-6.779777 3.641300 -1.009793\nTi Cd Rh\n1 1 2\ndirect\n1.000000 -0.000001 0.000000 Ti\n0.500000 -0.000000 0.000000 Cd\n0.688511 0.042348 0.042348 Rh\n0.311490 -0.042348 -0.042348 Rh\n",
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{
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"updated_at": "2022-09-04T14:37:18.368879Z",
"structure_string": "Na1 Cd1 Pb2\n1.0\n-12.231265 2.051168 -3.729742\n-8.536407 1.301887 0.601980\n-7.551354 4.090200 -1.107381\nNa Cd Pb\n1 1 2\ndirect\n0.000000 0.000002 -0.000003 Na\n0.500001 0.000005 -0.000005 Cd\n0.749706 -0.002209 -0.002890 Pb\n0.250293 0.002205 0.002898 Pb\n",
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{
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{
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"structure_string": "Ca2 V3 O8\n1.0\n4.739230 -0.024394 -1.525509\n-0.876182 5.207472 -2.805266\n-0.030937 -0.014703 6.355201\nCa V O\n2 3 8\ndirect\n0.667668 0.729637 0.459271 Ca\n0.332332 0.270365 0.540728 Ca\n0.500000 0.999999 -0.000001 V\n0.999999 0.726851 -0.000000 V\n0.999999 0.273150 -0.000000 V\n0.040839 0.390968 0.781937 O\n0.959161 0.609032 0.218063 O\n0.095856 0.903437 0.806874 O\n0.904144 0.096563 0.193125 O\n0.393022 0.325003 0.204945 O\n0.393022 0.879944 0.204945 O\n0.606979 0.120056 0.795055 O\n0.606979 0.674998 0.795055 O\n",
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}