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{
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"results": [
{
"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-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",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"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",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ga-O-Te",
"density": 6.239573090468509,
"density_atomic": 0.0931517329697176,
"volume": 193.233120052115,
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"formula_full": "Ga4 Te2 O12",
"formula_reduced": "Ga2TeO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 136
},
{
"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",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Na-O-V",
"density": 3.7359968397036685,
"density_atomic": 0.09314994646237004,
"volume": 257.6491013840284,
"volume_molar": 6.464996480092208,
"formula_full": "Na8 V4 O12",
"formula_reduced": "Na2VO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 43
},
{
"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_atomic": 0.09314939907045743,
"volume": 64.41265386437598,
"volume_molar": 6.465034471607169,
"formula_full": "Cr2 O4",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2120048,
"spacegroup": 166
},
{
"id": "jvasp-111374",
"created_at": "2022-09-04T14:38:26.239679Z",
"updated_at": "2022-09-04T14:38:26.239715Z",
"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",
"nsites": 2,
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"elements": [
"Co",
"Ni"
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"density": 9.096863144351287,
"density_atomic": 0.0931466057462113,
"volume": 21.47152850045048,
"volume_molar": 6.465228348103226,
"formula_full": "Co1 Ni1",
"formula_reduced": "CoNi",
"formula_anonymous": "AB",
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"spacegroup": 166
},
{
"id": "jvasp-74663",
"created_at": "2022-09-04T14:35:49.931342Z",
"updated_at": "2022-09-04T14:35:49.931364Z",
"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",
"nsites": 4,
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"elements": [
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],
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"density": 10.509814239495029,
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"volume": 42.94415795114812,
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"formula_full": "Be2 Cu1 Os1",
"formula_reduced": "Be2CuOs",
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"spacegroup": 119
},
{
"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",
"nsites": 10,
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"elements": [
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"volume": 107.36492536996117,
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"formula_full": "Li2 Fe2 F6",
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"formula_anonymous": "ABC3",
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"spacegroup": 36
},
{
"id": "jvasp-28388",
"created_at": "2022-09-04T14:37:10.853781Z",
"updated_at": "2022-09-04T14:37:10.853795Z",
"structure_string": "B2 S2 O9\n1.0\n0.000000 -4.196847 0.000000\n-3.900920 2.098423 0.329532\n0.021499 0.000000 -8.527465\nB S O\n2 2 9\ndirect\n0.823168 0.003846 0.853268 B\n0.819323 0.996153 0.146731 B\n0.490473 0.335662 0.728134 S\n0.154810 0.664337 0.271866 S\n0.635266 0.336396 0.579289 O\n0.298870 0.663604 0.420711 O\n0.498030 0.667226 0.791358 O\n0.830804 0.332774 0.208641 O\n0.685158 0.261899 0.859064 O\n0.423259 0.738101 0.140936 O\n0.094025 0.075424 0.726509 O\n0.018602 0.924576 0.273491 O\n0.961441 0.000000 0.000000 O\n",
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"elements": [
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"volume": 139.57820939197,
"volume_molar": 6.4658432614399795,
"formula_full": "B2 S2 O9",
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"spacegroup": 5
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{
"id": "jvasp-55131",
"created_at": "2022-09-04T14:38:28.631377Z",
"updated_at": "2022-09-04T14:38:28.631398Z",
"structure_string": "Na1 Mn1 O2\n1.0\n2.878391 -0.043302 4.800065\n1.295923 2.570522 4.800065\n-0.071525 -0.043302 5.596485\nNa Mn O\n1 1 2\ndirect\n0.499998 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.267197 0.267198 0.267197 O\n0.732800 0.732803 0.732802 O\n",
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"volume": 42.948572692178836,
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"formula_full": "Na1 Mn1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-112145",
"created_at": "2022-09-04T14:38:43.535895Z",
"updated_at": "2022-09-04T14:38:43.535918Z",
"structure_string": "Zr1 H2 C3 O4\n1.0\n4.290595 -0.140084 0.874106\n1.665797 4.236226 0.459862\n0.052171 -0.116452 5.839906\nZr H C O\n1 2 3 4\ndirect\n0.721498 0.175806 0.554458 Zr\n0.222741 0.692368 0.033134 H\n0.780260 0.776340 0.108996 H\n0.058483 0.471733 0.351285 C\n0.023920 0.593362 0.098432 C\n0.049057 0.360937 0.923003 C\n-0.002274 0.750543 0.479293 O\n0.391824 0.284636 0.354446 O\n0.324372 0.147156 0.843814 O\n0.786113 0.385490 0.850480 O\n",
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"density_atomic": 0.09313403401186628,
"volume": 107.37213421600414,
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"formula_full": "Zr1 H2 C3 O4",
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"spacegroup": 1
},
{
"id": "jvasp-119704",
"created_at": "2022-09-04T14:38:36.844203Z",
"updated_at": "2022-09-04T14:38:36.844230Z",
"structure_string": "Co2 P2 O8 F2\n1.0\n4.818226 -0.095904 -1.476706\n-1.148590 4.527606 -1.578502\n0.042640 0.007834 6.908938\nCo P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.354404 0.682772 0.236087 P\n0.645597 0.317229 0.763914 P\n0.660738 0.086793 0.872414 O\n0.785539 0.630021 0.947524 O\n0.784534 0.260565 0.586877 O\n0.328681 0.313475 0.658397 O\n0.214462 0.369980 0.052477 O\n0.215467 0.739436 0.413123 O\n0.671320 0.686526 0.341604 O\n0.339263 0.913208 0.127586 O\n0.049260 0.864010 0.730791 F\n0.950741 0.135991 0.269209 F\n",
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"volume_molar": 6.466146571777768,
"formula_full": "Co2 P2 O8 F2",
"formula_reduced": "CoPO4F",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
}
]
}