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{
"id": "jvasp-43790",
"created_at": "2022-09-04T14:36:03.187958Z",
"updated_at": "2022-09-04T14:36:03.187975Z",
"structure_string": "Li2 Fe2 F6\n1.0\n-2.887047 0.000311 -0.001130\n-0.000243 -4.945910 0.004523\n1.441050 0.006884 7.519597\nLi Fe F\n2 2 6\ndirect\n0.481477 0.004972 0.454319 Li\n0.525483 0.504980 0.545335 Li\n0.836202 0.477254 0.165130 Fe\n0.170797 0.977264 0.834535 Fe\n0.728829 0.726472 0.950605 F\n0.278134 0.226469 0.049059 F\n0.951480 0.252135 0.394798 F\n0.055550 0.752126 0.604883 F\n0.605054 0.207679 0.702975 F\n0.401998 0.707686 0.296683 F\n",
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{
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"structure_string": "Be2 Cu1 Os1\n1.0\n-1.632076 1.632076 4.030541\n1.632076 -1.632076 4.030541\n1.632076 1.632076 -4.030541\nBe Cu Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Cu\n0.750001 0.250000 0.500001 Os\n",
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{
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"structure_string": "Co1 Ni1\n1.0\n2.367548 0.001108 3.598796\n1.078454 2.107658 3.598796\n0.001810 0.001108 4.307739\nCo Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.500002 0.500001 Ni\n",
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{
"id": "jvasp-8393",
"created_at": "2022-09-04T14:37:03.888703Z",
"updated_at": "2022-09-04T14:37:03.888728Z",
"structure_string": "Cr2 O4\n1.0\n2.860979 0.039012 -0.453192\n1.430236 2.520044 -0.013768\n-1.369283 0.841190 9.293802\nCr O\n2 4\ndirect\n-0.001939 -0.001272 0.497894 Cr\n0.001418 -0.002657 -0.002046 Cr\n0.469314 0.262730 0.604755 O\n0.196963 0.399991 0.891213 O\n0.526875 0.734713 0.391037 O\n0.805816 0.594729 0.104688 O\n",
"nsites": 6,
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"elements": [
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"density": 4.330727100263114,
"density_atomic": 0.09314939907045743,
"volume": 64.41265386437598,
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"formula_full": "Cr2 O4",
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"spacegroup": 166
},
{
"id": "jvasp-42311",
"created_at": "2022-09-04T14:37:27.365594Z",
"updated_at": "2022-09-04T14:37:27.365607Z",
"structure_string": "Na8 V4 O12\n1.0\n5.461339 0.000861 -0.000813\n-1.744151 5.175272 -0.000076\n-1.857164 -2.587234 9.115792\nNa V O\n8 4 12\ndirect\n0.994812 0.494319 0.987617 Na\n0.428565 0.428764 0.844648 Na\n0.833473 0.333716 0.654526 Na\n0.256741 0.256266 0.511557 Na\n0.743956 0.743493 0.487617 Na\n0.666466 0.166820 0.344647 Na\n0.571412 0.571772 0.154530 Na\n0.505940 0.005466 0.011557 Na\n0.153543 0.646396 0.328471 V\n0.074675 0.067515 0.170702 V\n0.932740 0.925540 0.828468 V\n0.353860 0.846635 0.670703 V\n0.807180 0.806863 0.005009 O\n0.662218 0.116388 0.812160 O\n0.159836 0.704937 0.808229 O\n0.601185 0.646292 0.690939 O\n0.099634 0.053833 0.687017 O\n0.448780 0.948468 0.505010 O\n0.051744 0.551438 0.494163 O\n0.946376 0.900638 0.312164 O\n0.353895 0.399087 0.308225 O\n0.295268 0.840455 0.190949 O\n0.883796 0.338069 0.187005 O\n0.193373 0.193047 0.994166 O\n",
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"volume": 257.6491013840284,
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{
"id": "jvasp-12968",
"created_at": "2022-09-04T14:36:40.806549Z",
"updated_at": "2022-09-04T14:36:40.806575Z",
"structure_string": "Ga4 Te2 O12\n1.0\n4.603723 0.000000 0.000000\n0.000000 4.603723 0.000000\n0.000000 0.000000 9.117236\nGa Te O\n4 2 12\ndirect\n0.000000 0.000000 0.334598 Ga\n0.500000 0.500000 0.834598 Ga\n0.500000 0.500000 0.165403 Ga\n0.000000 0.000000 0.665403 Ga\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.698425 0.301574 0.000000 O\n0.198426 0.198426 0.500000 O\n0.801574 0.801574 0.500000 O\n0.301574 0.698425 0.000000 O\n0.693347 0.306653 0.663682 O\n0.806652 0.806652 0.163682 O\n0.306653 0.693347 0.336319 O\n0.193347 0.193347 0.163682 O\n0.193347 0.193347 0.836319 O\n0.806652 0.806652 0.836319 O\n0.693347 0.306653 0.336319 O\n0.306653 0.693347 0.663682 O\n",
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"volume": 193.233120052115,
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"formula_full": "Ga4 Te2 O12",
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"spacegroup": 136
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{
"id": "jvasp-30725",
"created_at": "2022-09-04T14:38:16.374097Z",
"updated_at": "2022-09-04T14:38:16.374119Z",
"structure_string": "Cr2 O4\n1.0\n-2.502588 -1.460813 0.001059\n0.006914 2.863206 -0.445278\n-0.807216 1.393878 -9.291859\nCr O\n2 4\ndirect\n0.997256 -0.001199 0.502102 Cr\n0.998291 0.000683 0.002051 Cr\n0.732570 0.469947 0.395236 O\n0.596402 0.196313 0.108794 O\n0.261975 0.527652 0.608968 O\n0.400190 0.805056 0.895307 O\n",
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"volume": 64.41039562726303,
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"formula_full": "Cr2 O4",
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"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-52528",
"created_at": "2022-09-04T14:38:06.774219Z",
"updated_at": "2022-09-04T14:38:06.774244Z",
"structure_string": "Li4 Sb4 O12\n1.0\n5.987931 0.000000 -0.000000\n0.000000 5.987931 0.000000\n-0.000000 -0.000000 5.987931\nLi Sb O\n4 4 12\ndirect\n0.873985 0.873985 0.873985 Li\n0.626014 0.126014 0.373985 Li\n0.373985 0.626014 0.126014 Li\n0.126014 0.373985 0.626014 Li\n0.091097 0.908903 0.408903 Sb\n0.408903 0.091097 0.908903 Sb\n0.591097 0.591097 0.591097 Sb\n0.908903 0.408903 0.091097 Sb\n0.773057 0.864922 0.514558 O\n0.726943 0.135078 0.014558 O\n0.635078 0.485442 0.273057 O\n0.485442 0.273057 0.635078 O\n0.514558 0.773057 0.864922 O\n0.135078 0.014558 0.726943 O\n0.273057 0.635078 0.485442 O\n0.226943 0.364922 0.985441 O\n0.864922 0.514558 0.773057 O\n0.985441 0.226943 0.364922 O\n0.364922 0.985441 0.226943 O\n0.014558 0.726943 0.135078 O\n",
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{
"id": "jvasp-10849",
"created_at": "2022-09-04T14:38:33.567933Z",
"updated_at": "2022-09-04T14:38:33.567957Z",
"structure_string": "Mg2 V4 O8\n1.0\n5.968039 0.000081 0.003492\n-2.983369 -5.167931 0.002098\n-2.980560 1.718038 -4.875857\nMg V O\n2 4 8\ndirect\n0.749999 0.874999 0.125002 Mg\n0.250002 0.125001 0.874999 Mg\n0.500000 0.000000 0.500001 V\n-0.000000 0.500000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.518870 0.259435 0.740657 O\n0.018868 0.278214 0.259441 O\n0.018884 0.740671 0.259433 O\n0.481119 0.740547 0.721794 O\n0.981116 0.259329 0.740567 O\n0.518882 0.259453 0.278207 O\n0.481130 0.740565 0.259344 O\n0.981132 0.721786 0.740559 O\n",
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{
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"updated_at": "2022-09-04T14:38:14.640563Z",
"structure_string": "V4 Zn2 O8\n1.0\n5.967518 0.002662 -0.003430\n-0.002776 5.967915 -0.000532\n-2.979911 -2.984873 4.221957\nV Zn O\n4 2 8\ndirect\n-0.000000 0.500001 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500001 0.500001 V\n0.500000 0.500000 0.000000 V\n0.374981 0.124970 0.249967 Zn\n0.625019 0.875031 0.750034 Zn\n0.759994 0.279966 0.019997 O\n0.759998 0.740037 0.019993 O\n0.220057 0.740019 0.480028 O\n0.240028 0.259987 0.519970 O\n0.779943 0.259983 0.519973 O\n0.240002 0.259965 0.980008 O\n0.759973 0.740014 0.480032 O\n0.240006 0.720036 0.980004 O\n",
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{
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"structure_string": "Lu4 Mn4 O14\n1.0\n6.008631 -0.000000 3.469085\n2.002877 5.664992 3.469085\n-0.000000 -0.000000 6.938170\nLu Mn O\n4 4 14\ndirect\n0.499999 0.500001 0.500000 Lu\n0.000000 0.500001 0.500000 Lu\n0.499999 0.000000 0.500000 Lu\n0.499999 0.500001 0.000001 Lu\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.499999 0.000000 0.000000 Mn\n0.000000 0.500001 0.999999 Mn\n0.668430 0.081570 0.081569 O\n0.668430 0.081570 0.668432 O\n0.081570 0.668430 0.081569 O\n0.625000 0.624999 0.625002 O\n0.918431 0.331569 0.331570 O\n0.331569 0.918431 0.331570 O\n0.331569 0.331569 0.918432 O\n0.918431 0.918431 0.331570 O\n0.918431 0.331569 0.918432 O\n0.081570 0.668430 0.668432 O\n0.331569 0.918431 0.918432 O\n0.374999 0.375000 0.375001 O\n0.668431 0.668430 0.081571 O\n0.081570 0.081570 0.668430 O\n",
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"structure_string": "Cr2 O4\n1.0\n-2.503337 -1.459588 0.001167\n0.008108 2.862897 -0.445767\n-0.807485 1.395814 -9.292736\nCr O\n2 4\ndirect\n0.997438 -0.001490 0.502102 Cr\n0.998120 0.000967 0.002051 Cr\n0.732784 0.469851 0.395234 O\n0.596168 0.196432 0.108796 O\n0.262117 0.527218 0.608967 O\n0.400054 0.805459 0.895308 O\n",
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"formula_full": "Cr2 O4",
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"formula_anonymous": "AB2",
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}
]
}