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{
"id": "jvasp-22604",
"created_at": "2022-09-04T14:36:36.979884Z",
"updated_at": "2022-09-04T14:36:36.979908Z",
"structure_string": "Cr4 F10\n1.0\n4.735514 -0.290811 1.983051\n-0.705039 4.691757 1.983051\n-0.136611 -0.149167 7.228574\nCr F\n4 10\ndirect\n0.000000 -0.000000 0.500000 Cr\n0.499999 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.688706 0.185634 0.547175 F\n0.314366 0.811293 0.952824 F\n0.311293 0.814367 0.452824 F\n0.685633 0.188707 0.047175 F\n0.161389 0.338611 0.750000 F\n0.838610 0.661389 0.250000 F\n0.872882 0.820404 0.841283 F\n0.679596 0.627118 0.658716 F\n0.127118 0.179596 0.158716 F\n0.320403 0.372882 0.341283 F\n",
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{
"id": "jvasp-48537",
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"updated_at": "2022-09-04T14:36:37.443187Z",
"structure_string": "Li4 V2 O4 F4\n1.0\n0.000000 5.037222 0.042008\n5.745727 0.000000 0.000000\n0.000000 -1.768117 -4.729254\nLi V O F\n4 2 4 4\ndirect\n0.249999 0.143224 0.499999 Li\n0.249999 0.604690 0.499999 Li\n0.749999 0.395310 0.499999 Li\n0.749999 0.856776 0.499999 Li\n0.250000 0.903597 -0.000000 V\n0.750000 0.096403 -0.000000 V\n0.010704 0.894063 0.229837 O\n0.489295 0.894063 0.770161 O\n0.510704 0.105937 0.229837 O\n0.989295 0.105937 0.770161 O\n0.023172 0.644686 0.732925 F\n0.523172 0.355315 0.732925 F\n0.476827 0.644686 0.267074 F\n0.976826 0.355315 0.267074 F\n",
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"density_atomic": 0.10260192526279545,
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"formula_full": "Li4 V2 O4 F4",
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"formula_anonymous": "AB2C2D2",
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{
"id": "jvasp-11201",
"created_at": "2022-09-04T14:36:37.830597Z",
"updated_at": "2022-09-04T14:36:37.830621Z",
"structure_string": "Tm4 Cd2 Se8\n1.0\n7.119986 0.000000 4.110726\n2.373328 6.712788 4.110726\n-0.000000 0.000000 8.221452\nTm Cd Se\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 -0.000000 0.500000 Tm\n0.875001 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.742361 0.742361 0.742361 Se\n0.257640 0.257640 0.727082 Se\n0.257640 0.727082 0.257640 Se\n0.727082 0.257640 0.257640 Se\n0.742361 0.272918 0.742360 Se\n0.272918 0.742361 0.742360 Se\n0.257640 0.257640 0.257640 Se\n0.742361 0.742361 0.272918 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.475077448184446,
"density_atomic": 0.03562849181768639,
"volume": 392.9439413725125,
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"formula_full": "Tm4 Cd2 Se8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-48807",
"created_at": "2022-09-04T14:36:13.309483Z",
"updated_at": "2022-09-04T14:36:13.309512Z",
"structure_string": "Li2 Mn4 O2 F6\n1.0\n0.000000 6.217567 0.000000\n-5.384633 3.108783 0.000101\n0.000020 0.000000 5.185106\nLi Mn O F\n2 4 2 6\ndirect\n0.666658 0.666684 0.021587 Li\n0.333342 0.333316 0.978413 Li\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666669 0.666660 0.664338 O\n0.333331 0.333339 0.335663 O\n0.348402 0.825800 0.210982 F\n0.825798 0.825800 0.210982 F\n0.174222 0.651554 0.789058 F\n0.825778 0.348445 0.210942 F\n0.651599 0.174200 0.789018 F\n0.174202 0.174200 0.789018 F\n",
"nsites": 14,
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"elements": [
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"density": 3.6313478260959244,
"density_atomic": 0.0806480394392868,
"volume": 173.5938046025215,
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"formula_full": "Li2 Mn4 O2 F6",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 164
},
{
"id": "jvasp-11301",
"created_at": "2022-09-04T14:36:32.061159Z",
"updated_at": "2022-09-04T14:36:32.061188Z",
"structure_string": "Zn2 Cr2 F10\n1.0\n4.874527 0.100969 -1.835433\n-1.959299 4.774063 -0.713781\n-0.054825 -0.059000 7.427398\nZn Cr F\n2 2 10\ndirect\n0.269460 0.519459 0.750001 Zn\n0.730541 0.480540 0.250001 Zn\n0.000000 0.000000 0.000000 Cr\n0.500001 0.000000 0.500001 Cr\n0.346884 0.096883 0.250000 F\n0.653118 0.903116 0.750001 F\n0.548732 0.692826 0.362443 F\n0.830384 0.186290 0.137559 F\n0.769959 0.664761 0.031773 F\n0.132989 0.738186 0.468228 F\n0.230043 0.335239 0.968228 F\n0.867013 0.261814 0.531773 F\n0.169617 0.813710 0.862443 F\n0.451269 0.307173 0.637559 F\n",
"nsites": 14,
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"elements": [
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"formula_full": "Zn2 Cr2 F10",
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"spacegroup": 15
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{
"id": "jvasp-10486",
"created_at": "2022-09-04T14:36:36.924750Z",
"updated_at": "2022-09-04T14:36:36.924775Z",
"structure_string": "K6 Al2 O6\n1.0\n6.421075 -0.006231 -0.751407\n-1.086341 5.798539 -2.767595\n-0.005524 0.024568 6.516298\nK Al O\n6 2 6\ndirect\n0.647255 0.371157 0.371156 K\n0.352746 0.628844 0.628843 K\n0.500000 0.194906 0.805095 K\n0.500000 0.805095 0.194905 K\n0.000001 0.267129 0.732871 K\n0.000000 0.732871 0.267129 K\n0.854295 0.836653 0.836652 Al\n0.145705 0.163348 0.163347 Al\n0.737163 0.848413 0.583607 O\n0.262837 0.416393 0.151588 O\n0.262837 0.151588 0.416393 O\n0.737163 0.583608 0.848412 O\n0.146738 0.900570 0.900569 O\n0.853262 0.099431 0.099430 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.6277206066816907,
"density_atomic": 0.057611094445197644,
"volume": 243.0087491796819,
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"formula_full": "K6 Al2 O6",
"formula_reduced": "K3AlO3",
"formula_anonymous": "AB3C3",
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"spacegroup": 12
},
{
"id": "jvasp-48117",
"created_at": "2022-09-04T14:36:09.674110Z",
"updated_at": "2022-09-04T14:36:09.674136Z",
"structure_string": "Li2 Fe3 Te1 O8\n1.0\n5.976979 0.137571 0.097277\n3.107630 5.107430 0.097277\n3.107630 1.794190 4.782906\nLi Fe Te O\n2 3 1 8\ndirect\n0.128129 0.128128 0.128129 Li\n0.871871 0.871870 0.871873 Li\n-0.000000 0.500000 0.500001 Fe\n0.500000 -0.000000 0.500001 Fe\n0.500000 0.500000 0.000001 Fe\n0.500000 0.499999 0.500001 Te\n0.265147 0.265147 0.265148 O\n0.254076 0.254076 0.717601 O\n0.254076 0.717600 0.254077 O\n0.717600 0.254076 0.254077 O\n0.282400 0.745923 0.745925 O\n0.745923 0.282399 0.745925 O\n0.745923 0.745923 0.282401 O\n0.734853 0.734852 0.734855 O\n",
"nsites": 14,
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],
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"density_atomic": 0.09861946609796314,
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"formula_full": "Li2 Fe3 Te1 O8",
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{
"id": "jvasp-11483",
"created_at": "2022-09-04T14:38:08.981787Z",
"updated_at": "2022-09-04T14:38:08.981810Z",
"structure_string": "Mn2 Fe4 O8\n1.0\n5.064139 0.000000 2.923782\n1.688046 4.774516 2.923782\n0.000000 0.000000 5.847564\nMn Fe O\n2 4 8\ndirect\n0.125001 0.125000 0.124999 Mn\n0.875001 0.875001 0.874998 Mn\n0.499999 0.500001 0.499999 Fe\n0.499999 0.500001 -0.000001 Fe\n0.000000 0.500001 0.499998 Fe\n0.500000 -0.000000 0.499999 Fe\n0.748987 0.748988 0.748986 O\n0.251011 0.251012 0.746963 O\n0.251014 0.746964 0.251011 O\n0.746964 0.251012 0.251010 O\n0.748988 0.253037 0.748986 O\n0.253037 0.748988 0.748986 O\n0.251011 0.251012 0.251012 O\n0.748987 0.748988 0.253035 O\n",
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"volume": 141.38715460039273,
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"formula_full": "Mn2 Fe4 O8",
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"spacegroup": 227
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{
"id": "jvasp-121970",
"created_at": "2022-09-04T14:38:26.067625Z",
"updated_at": "2022-09-04T14:38:26.067646Z",
"structure_string": "Ho3 Ga9 Pt2\n1.0\n7.881760 0.003193 -2.276157\n-1.059207 3.968161 -7.101747\n0.260426 -0.003193 8.199708\nHo Ga Pt\n3 9 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.324912 0.324911 -0.000001 Ho\n0.675088 0.675087 -0.000001 Ho\n0.500000 -0.000000 0.500000 Ga\n0.707945 0.331242 0.376703 Ga\n0.292055 0.668758 0.623297 Ga\n0.954539 0.331242 0.623296 Ga\n0.045461 0.668758 0.376703 Ga\n0.410146 0.130870 0.279276 Ga\n0.589854 0.869130 0.720723 Ga\n0.851593 0.130870 0.720724 Ga\n0.148407 0.869130 0.279276 Ga\n0.727281 0.499999 0.227280 Pt\n0.272719 0.500000 0.772719 Pt\n",
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{
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"created_at": "2022-09-04T14:38:08.931045Z",
"updated_at": "2022-09-04T14:38:08.931067Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.794864 0.000001 0.000000\n-2.397432 1.384157 7.845599\n2.397432 -4.152474 -0.000000\nLi Co P O\n2 2 2 8\ndirect\n0.005416 0.016247 0.005416 Li\n0.570089 0.710268 0.570088 Li\n0.125321 0.375963 0.125321 Co\n0.450182 0.350548 0.450182 Co\n0.864877 0.594631 0.864876 P\n0.710626 0.131882 0.710626 P\n0.157984 0.525041 0.542619 O\n0.032885 0.201472 0.751070 O\n0.417518 0.201472 0.032884 O\n0.647137 0.941410 0.647136 O\n0.824437 0.525041 0.157984 O\n0.542620 0.525041 0.824436 O\n0.751070 0.201472 0.417518 O\n0.928366 0.785101 0.928365 O\n",
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{
"id": "jvasp-117306",
"created_at": "2022-09-04T14:38:26.115192Z",
"updated_at": "2022-09-04T14:38:26.115221Z",
"structure_string": "Dy6 Pd8\n1.0\n7.147392 0.010675 -3.228070\n-5.003102 5.104341 -3.228070\n0.004475 0.010675 7.842552\nDy Pd\n6 8\ndirect\n0.404844 0.024477 0.276026 Dy\n0.024477 0.276026 0.404844 Dy\n0.276026 0.404845 0.024477 Dy\n0.595154 0.975521 0.723972 Dy\n0.975521 0.723972 0.595154 Dy\n0.723972 0.595153 0.975521 Dy\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n0.228375 0.063487 0.549305 Pd\n0.063487 0.549305 0.228376 Pd\n0.549305 0.228375 0.063487 Pd\n0.771623 0.936511 0.450693 Pd\n0.936510 0.450693 0.771622 Pd\n0.450693 0.771623 0.936511 Pd\n",
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{
"id": "jvasp-9673",
"created_at": "2022-09-04T14:38:08.967393Z",
"updated_at": "2022-09-04T14:38:08.967428Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n5.900729 -0.000000 -3.097959\n-1.626468 5.672145 -3.097959\n-0.272800 -0.362020 6.648978\nZn Sb O\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n0.000000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.750353 0.751083 0.500707 O\n0.750377 0.249648 0.999294 O\n0.248917 0.249648 0.999294 O\n0.249647 0.248918 0.499294 O\n0.249647 0.750378 0.499294 O\n0.249623 0.750353 0.000706 O\n0.750353 0.249623 0.500706 O\n0.751083 0.750353 0.000706 O\n",
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}
]
}