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{
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"results": [
{
"id": "jvasp-46642",
"created_at": "2022-09-04T14:38:15.901369Z",
"updated_at": "2022-09-04T14:38:15.901389Z",
"structure_string": "Li4 V2 Cr3 Fe3 O16\n1.0\n5.693578 -0.012893 0.000850\n-2.857894 4.950010 0.000064\n0.001146 0.000523 9.311598\nLi V Cr Fe O\n4 2 3 3 16\ndirect\n0.343996 0.672007 0.891123 Li\n0.990189 0.995108 0.995884 Li\n0.987206 0.993618 0.494398 Li\n0.675571 0.337795 0.396464 Li\n0.335948 0.667986 0.497635 V\n0.673219 0.336622 0.993200 V\n0.179411 0.833294 0.214562 Cr\n0.179414 0.346137 0.214565 Cr\n0.336730 0.168375 0.714441 Cr\n0.829950 0.177968 0.714836 Fe\n0.647821 0.823919 0.212842 Fe\n0.829948 0.651999 0.714834 Fe\n0.339166 0.169600 0.095463 O\n0.826352 0.661442 0.099901 O\n0.668663 0.334342 0.603855 O\n0.520969 0.042426 0.840061 O\n0.520967 0.478563 0.840056 O\n0.659600 0.829809 0.601535 O\n0.486823 0.523127 0.344276 O\n0.045706 0.522861 0.341194 O\n0.165230 0.336705 0.595829 O\n0.986883 0.993448 0.807217 O\n0.992419 0.996219 0.304348 O\n0.332906 0.666466 0.097193 O\n0.966532 0.483275 0.842115 O\n0.165233 0.828543 0.595831 O\n0.486822 0.963712 0.344272 O\n0.826355 0.164937 0.099904 O\n",
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"formula_full": "Li4 V2 Cr3 Fe3 O16",
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{
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"structure_string": "Ba3 Yb1\n1.0\n5.424813 -0.060812 -5.027018\n-1.075106 5.317560 -5.027018\n0.050319 0.060812 7.395740\nYb Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.499999 Ba\n0.249999 0.750000 0.499999 Ba\n0.499999 0.500000 -0.000001 Ba\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ba3 Yb1",
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{
"id": "jvasp-13019",
"created_at": "2022-09-04T14:36:59.832479Z",
"updated_at": "2022-09-04T14:36:59.832496Z",
"structure_string": "Li5 Bi1 O5\n1.0\n4.268212 -0.000000 -0.000000\n-2.134105 4.660360 -1.686374\n-0.000000 -0.004378 6.015380\nLi Bi O\n5 1 5\ndirect\n0.705525 0.411052 0.357819 Li\n0.993770 0.987543 0.515463 Li\n0.305562 0.611125 0.155931 Li\n0.682150 0.364302 0.874935 Li\n0.282074 0.564150 0.673046 Li\n0.993831 0.987665 0.015471 Bi\n0.843835 0.687670 0.197140 O\n0.493782 0.987567 0.015573 O\n0.162552 0.325105 0.343990 O\n0.825118 0.650237 0.686906 O\n0.143789 0.287580 0.833731 O\n",
"nsites": 11,
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"elements": [
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],
"chemical_system": "Bi-Li-O",
"density": 4.493182483633317,
"density_atomic": 0.09195567977984842,
"volume": 119.62284468273367,
"volume_molar": 6.548960079918543,
"formula_full": "Li5 Bi1 O5",
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"formula_anonymous": "AB5C5",
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"spacegroup": 12
},
{
"id": "jvasp-38023",
"created_at": "2022-09-04T14:38:07.732006Z",
"updated_at": "2022-09-04T14:38:07.732033Z",
"structure_string": "Al1 As1\n1.0\n3.762383 0.005065 -0.001065\n1.876736 3.260809 0.012713\n1.880634 1.075965 3.075894\nAl As\n1 1\ndirect\n0.462741 0.497185 0.510230 Al\n0.962755 0.997179 0.010236 As\n",
"nsites": 2,
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"elements": [
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"density": 4.4931900934779225,
"density_atomic": 0.05310655507859399,
"volume": 37.66013436646643,
"volume_molar": 11.339731509768713,
"formula_full": "Al1 As1",
"formula_reduced": "AlAs",
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"spacegroup": 225
},
{
"id": "jvasp-40488",
"created_at": "2022-09-04T14:38:34.981894Z",
"updated_at": "2022-09-04T14:38:34.981919Z",
"structure_string": "Nb6 Ge2 S12\n1.0\n2.918505 -5.054999 0.000000\n2.918505 5.054999 -0.000000\n0.000000 -0.000000 13.620897\nNb Ge S\n6 2 12\ndirect\n0.333332 0.666666 0.500000 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333332 0.666666 0.000000 Nb\n0.666666 0.333332 0.000000 Nb\n0.666666 0.333332 0.500000 Nb\n0.000000 0.000000 0.249993 Ge\n0.000000 0.000000 0.750007 Ge\n-0.000000 0.335685 0.615897 S\n-0.000000 0.335685 0.384103 S\n0.335685 -0.000000 0.615897 S\n0.335685 -0.000000 0.384103 S\n0.664312 -0.000001 0.115897 S\n0.335687 0.335687 0.115897 S\n0.664314 0.664314 0.615897 S\n0.664314 0.664314 0.384103 S\n-0.000001 0.664312 0.884103 S\n0.335687 0.335687 0.884103 S\n0.664312 -0.000001 0.884103 S\n-0.000001 0.664312 0.115897 S\n",
"nsites": 20,
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"elements": [
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"S"
],
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"density": 4.4932486862149315,
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"volume": 401.8992726444263,
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{
"id": "jvasp-50665",
"created_at": "2022-09-04T14:37:08.311465Z",
"updated_at": "2022-09-04T14:37:08.311490Z",
"structure_string": "Li2 Ag2 F6\n1.0\n-5.189596 0.239752 1.443693\n2.260790 4.424429 -2.014585\n0.943657 -1.029188 -5.363853\nLi Ag F\n2 2 6\ndirect\n0.324325 0.608425 0.069892 Li\n0.675668 0.391580 0.930102 Li\n0.132099 0.829174 0.467308 Ag\n0.867896 0.170825 0.532689 Ag\n0.039757 0.300850 0.218411 F\n0.563449 0.065161 0.733945 F\n0.283845 0.401652 0.796038 F\n0.716145 0.598337 0.203963 F\n0.436552 -0.065159 0.266048 F\n0.960264 0.699152 0.781607 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.493280216610525,
"density_atomic": 0.0787499168703029,
"volume": 126.98426103064325,
"volume_molar": 7.647170942311163,
"formula_full": "Li2 Ag2 F6",
"formula_reduced": "LiAgF3",
"formula_anonymous": "ABC3",
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"spacegroup": 2
},
{
"id": "jvasp-116120",
"created_at": "2022-09-04T14:38:40.662951Z",
"updated_at": "2022-09-04T14:38:40.662977Z",
"structure_string": "Rb1 Ge1 Se1\n1.0\n5.945191 -0.000000 0.000000\n-2.972595 5.148686 -0.000000\n0.000000 -0.000000 2.862143\nRb Ge Se\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Ge\n0.666667 0.333333 0.000000 Se\n",
"nsites": 3,
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"elements": [
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"density": 4.493327981885951,
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"volume": 87.60997303555109,
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"formula_full": "Rb1 Ge1 Se1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-109116",
"created_at": "2022-09-04T14:38:19.370059Z",
"updated_at": "2022-09-04T14:38:19.370092Z",
"structure_string": "Nd2 Al2 Si4\n1.0\n4.181427 -0.000000 0.000000\n-2.090714 3.621222 0.000000\n0.000000 0.000000 11.099030\nNd Al Si\n2 2 4\ndirect\n0.000000 0.000000 0.181696 Nd\n0.000000 0.000000 0.818304 Nd\n0.333334 0.666666 0.586033 Al\n0.666667 0.333333 0.413967 Al\n0.333334 0.666666 0.993137 Si\n0.666667 0.333333 0.006863 Si\n0.333334 0.666666 0.354960 Si\n0.666667 0.333333 0.645040 Si\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.493600181203771,
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"spacegroup": 164
},
{
"id": "jvasp-37071",
"created_at": "2022-09-04T14:38:04.708081Z",
"updated_at": "2022-09-04T14:38:04.708113Z",
"structure_string": "Na1 Tb1 S2\n1.0\n-1.993513 -3.452865 0.000000\n-3.987027 -0.000000 -0.000000\n-1.993513 -1.150955 -6.604467\nTb Na S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.499999 0.500000 Na\n0.743569 0.743565 0.769299 S\n0.256434 0.256433 0.230701 S\n",
"nsites": 4,
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},
{
"id": "jvasp-121281",
"created_at": "2022-09-04T14:38:55.064201Z",
"updated_at": "2022-09-04T14:38:55.064225Z",
"structure_string": "As2 Br2\n1.0\n7.263084 0.732093 1.220139\n0.163514 -3.185413 0.930965\n-1.868601 0.066955 -5.306275\nAs Br\n2 2\ndirect\n0.007564 0.285011 0.118027 As\n0.627772 0.197880 -0.057374 As\n0.095055 0.529296 0.609892 Br\n0.540297 0.953594 0.450769 Br\n",
"nsites": 4,
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"spacegroup": 12
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{
"id": "jvasp-33819",
"created_at": "2022-09-04T14:38:05.455802Z",
"updated_at": "2022-09-04T14:38:05.455829Z",
"structure_string": "Dy2 Br6\n1.0\n9.577890 -0.000246 0.000000\n-4.789160 8.294886 -0.000010\n-0.000000 -0.000004 3.741623\nDy Br\n2 6\ndirect\n0.333337 0.666671 0.750006 Dy\n0.666665 0.333330 0.249994 Dy\n0.206400 0.412800 0.249997 Br\n0.587208 0.793603 0.249997 Br\n0.206399 0.793601 0.249997 Br\n0.793600 0.587200 0.750003 Br\n0.412792 0.206398 0.750003 Br\n0.793602 0.206399 0.750003 Br\n",
"nsites": 8,
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"volume": 297.2582063782629,
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{
"id": "jvasp-5386",
"created_at": "2022-09-04T14:38:13.198055Z",
"updated_at": "2022-09-04T14:38:13.198072Z",
"structure_string": "Ti1 Br2\n1.0\n1.867133 -3.233968 -0.000000\n1.867133 3.233968 0.000000\n0.000000 0.000000 6.354524\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.750557 Br\n0.666666 0.333332 0.249442 Br\n",
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}
]
}