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"results": [
{
"id": "jvasp-88380",
"created_at": "2022-09-04T14:36:18.516013Z",
"updated_at": "2022-09-04T14:36:18.516037Z",
"structure_string": "Na2 Zr2 Cu2 S6\n1.0\n3.707296 0.000000 -0.000000\n-1.853649 6.433699 0.000000\n0.000000 -0.000000 9.791211\nNa Zr Cu S\n2 2 2 6\ndirect\n0.750685 0.501368 0.750000 Na\n0.249316 0.498632 0.250000 Na\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.468574 0.937148 0.750000 Cu\n0.531427 0.062852 0.250000 Cu\n0.920858 0.841717 0.250000 S\n0.366717 0.733434 0.941533 S\n0.079142 0.158284 0.750000 S\n0.366717 0.733434 0.558467 S\n0.633283 0.266566 0.058467 S\n0.633283 0.266566 0.441533 S\n",
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{
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"created_at": "2022-09-04T14:36:50.958351Z",
"updated_at": "2022-09-04T14:36:50.958373Z",
"structure_string": "Rb2 Hf2 Ag2 Te6\n1.0\n0.000000 8.984213 -0.068332\n4.224207 0.000000 0.000000\n0.000000 -4.056343 -10.118002\nRb Hf Ag Te\n2 2 2 6\ndirect\n0.743767 0.750001 0.711921 Rb\n0.256232 0.250000 0.288079 Rb\n0.696548 0.250000 0.166378 Hf\n0.303451 0.750001 0.833622 Hf\n0.072930 0.250000 0.601827 Ag\n0.927070 0.750001 0.398172 Ag\n0.731606 0.250000 0.435178 Te\n0.904100 0.750001 0.135107 Te\n0.453377 0.750001 0.126274 Te\n0.268393 0.750001 0.564822 Te\n0.546623 0.250000 0.873726 Te\n0.095900 0.250000 0.864892 Te\n",
"nsites": 12,
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{
"id": "jvasp-55696",
"created_at": "2022-09-04T14:38:04.853837Z",
"updated_at": "2022-09-04T14:38:04.853855Z",
"structure_string": "Li4 H4 Se4 O12\n1.0\n4.952831 0.000000 0.000000\n0.000000 5.295842 0.000000\n0.000000 0.000000 11.178928\nLi H Se O\n4 4 4 12\ndirect\n0.490784 0.939803 0.669377 Li\n0.990784 0.560197 0.330623 Li\n0.509216 0.439803 0.830623 Li\n0.009216 0.060197 0.169377 Li\n0.486284 0.934476 0.079522 H\n0.986284 0.565524 0.920479 H\n0.513716 0.434476 0.420479 H\n0.013716 0.065524 0.579522 H\n0.606903 0.007707 0.398479 Se\n0.106903 0.492293 0.601521 Se\n0.393097 0.507707 0.101521 Se\n0.893097 0.992293 0.898479 Se\n0.846361 0.899250 0.304171 O\n0.261046 0.445568 0.964171 O\n0.346361 0.600750 0.695829 O\n0.653639 0.100750 0.804172 O\n0.153639 0.399250 0.195829 O\n0.182725 0.152281 0.613675 O\n0.682725 0.347718 0.386325 O\n0.817275 0.652281 0.886326 O\n0.317275 0.847718 0.113675 O\n0.738954 0.945567 0.535830 O\n0.238954 0.554432 0.464171 O\n0.761046 0.054432 0.035830 O\n",
"nsites": 24,
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],
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"formula_anonymous": "ABCD3",
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"spacegroup": 19
},
{
"id": "jvasp-28844",
"created_at": "2022-09-04T14:37:05.999295Z",
"updated_at": "2022-09-04T14:37:05.999333Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.290967 0.000005 -0.000013\n-1.645479 2.850052 0.000269\n-0.000148 0.003287 35.212271\nMo W Se S\n2 2 6 2\ndirect\n0.333321 0.666641 0.094282 Mo\n0.666686 0.333371 0.282055 Mo\n0.333316 0.666631 0.470941 W\n0.666677 0.333359 0.655642 W\n0.333214 0.666428 0.329902 Se\n0.666667 0.333347 0.046490 Se\n0.666636 0.333278 0.422766 Se\n0.666631 0.333251 0.142165 Se\n0.666666 0.333324 0.519113 Se\n0.333480 0.666959 0.234159 Se\n0.333321 0.666635 0.699419 S\n0.333380 0.666764 0.611813 S\n",
"nsites": 12,
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],
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"density_atomic": 0.03633377495127857,
"volume": 330.2712150359077,
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{
"id": "jvasp-119634",
"created_at": "2022-09-04T14:38:36.436622Z",
"updated_at": "2022-09-04T14:38:36.436642Z",
"structure_string": "Rb2 Yb2 Zn2 Te6\n1.0\n8.579346 0.000097 0.000000\n-7.569983 4.037391 0.000000\n-0.000000 -0.000000 11.808325\nYb Rb Zn Te\n2 2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.262405 0.737595 0.250000 Rb\n0.737596 0.262405 0.750000 Rb\n0.547346 0.452655 0.250000 Zn\n0.452655 0.547345 0.750000 Zn\n0.635425 0.364577 0.061097 Te\n0.364577 0.635424 0.938902 Te\n0.364577 0.635424 0.561097 Te\n0.635425 0.364577 0.438902 Te\n0.942387 0.057615 0.250000 Te\n0.057614 0.942386 0.750000 Te\n",
"nsites": 12,
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"density_atomic": 0.02933788138143814,
"volume": 409.0274905669334,
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"formula_full": "Rb2 Yb2 Zn2 Te6",
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"spacegroup": 63
},
{
"id": "jvasp-95445",
"created_at": "2022-09-04T14:36:22.141084Z",
"updated_at": "2022-09-04T14:36:22.141119Z",
"structure_string": "K2 Eu2 Pd2 O6\n1.0\n3.919449 -0.000000 -0.000000\n-1.959724 6.359602 -1.640037\n-0.000000 0.007496 7.343541\nK Eu Pd O\n2 2 2 6\ndirect\n0.355522 0.711041 0.436598 K\n0.644480 0.288960 0.563402 K\n0.649737 0.299473 0.076825 Eu\n0.350264 0.700527 0.923175 Eu\n0.992908 0.985814 0.228410 Pd\n0.007093 0.014186 0.771589 Pd\n0.829293 0.658584 0.132433 O\n0.846751 0.693500 0.724526 O\n0.493739 0.987476 0.188457 O\n0.506262 0.012524 0.811543 O\n0.170709 0.341417 0.867567 O\n0.153251 0.306501 0.275473 O\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.06554000339474289,
"volume": 183.09428407754012,
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"formula_full": "K2 Eu2 Pd2 O6",
"formula_reduced": "KEuPdO3",
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"spacegroup": 12
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{
"id": "jvasp-110990",
"created_at": "2022-09-04T14:38:35.887453Z",
"updated_at": "2022-09-04T14:38:35.887477Z",
"structure_string": "Ta1 Ti1 W1 C3\n1.0\n3.114082 0.000000 0.000000\n-1.557040 2.696874 0.000000\n0.000000 0.000000 7.623174\nTa Ti W C\n1 1 1 3\ndirect\n0.333333 0.666666 0.168553 Ta\n0.000000 0.000000 0.503436 Ti\n0.666666 0.333333 0.829085 W\n0.333333 0.666666 0.666044 C\n0.000000 0.000000 0.995684 C\n0.666666 0.333333 0.337196 C\n",
"nsites": 6,
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],
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},
{
"id": "jvasp-34696",
"created_at": "2022-09-04T14:38:11.699888Z",
"updated_at": "2022-09-04T14:38:11.699915Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n4.162252 -7.209233 0.000000\n4.162252 7.209233 -0.000000\n-0.000000 -0.000000 3.255716\nNa Li C O\n3 3 3 9\ndirect\n0.038498 0.323765 0.500001 Na\n0.676235 0.714733 0.500001 Na\n0.285267 0.961501 0.500001 Na\n0.380184 0.340302 0.000000 Li\n0.960117 0.619815 0.000000 Li\n0.659698 0.039883 0.000000 Li\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.500001 C\n0.000000 0.000000 0.000000 C\n0.541697 0.383699 0.500001 O\n0.265209 0.488542 0.000000 O\n0.511457 0.776666 0.000000 O\n0.223333 0.734791 0.000000 O\n0.911811 0.819993 0.000000 O\n0.180007 0.091818 0.000000 O\n0.842002 0.458303 0.500001 O\n0.616300 0.157998 0.500001 O\n0.908181 0.088188 0.000000 O\n",
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"density": 2.293124826765968,
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"volume": 195.38622503226608,
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"formula_full": "Na3 Li3 C3 O9",
"formula_reduced": "NaLiCO3",
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"spacegroup": 174
},
{
"id": "jvasp-57533",
"created_at": "2022-09-04T14:38:32.739655Z",
"updated_at": "2022-09-04T14:38:32.739685Z",
"structure_string": "Ho4 Te4 Cl4 O12\n1.0\n6.960790 -0.000000 0.000000\n0.000000 7.215885 0.000000\n0.000000 0.000000 9.113693\nHo Te Cl O\n4 4 4 12\ndirect\n0.250000 0.592078 0.963501 Ho\n0.750000 0.407923 0.036499 Ho\n0.750000 0.907923 0.463501 Ho\n0.250000 0.092078 0.536499 Ho\n0.750000 0.827420 0.870276 Te\n0.250000 0.672581 0.370276 Te\n0.750000 0.327420 0.629723 Te\n0.250000 0.172581 0.129723 Te\n0.750000 0.561044 0.315211 Cl\n0.750000 0.061043 0.184789 Cl\n0.250000 0.938957 0.815210 Cl\n0.250000 0.438957 0.684789 Cl\n0.250000 0.240969 0.328162 O\n0.250000 0.740969 0.171838 O\n0.750000 0.759032 0.671838 O\n0.565747 0.650403 0.937780 O\n0.934253 0.650403 0.937780 O\n0.434253 0.349598 0.062220 O\n0.065747 0.349598 0.062220 O\n0.434253 0.849598 0.437780 O\n0.565747 0.150402 0.562220 O\n0.934253 0.150402 0.562220 O\n0.750000 0.259031 0.828162 O\n0.065747 0.849598 0.437780 O\n",
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{
"id": "jvasp-86831",
"created_at": "2022-09-04T14:36:17.440713Z",
"updated_at": "2022-09-04T14:36:17.440735Z",
"structure_string": "Tl2 P2 Au2 Se6\n1.0\n6.457071 0.021304 -3.006107\n-3.881908 5.970305 -0.130952\n0.013797 -0.005308 8.348496\nTl P Au Se\n2 2 2 6\ndirect\n0.943195 0.285592 0.228788 Tl\n0.056804 0.714407 0.771212 Tl\n0.621676 0.030827 0.652504 P\n0.378324 0.969173 0.347497 P\n0.760275 0.760275 -0.000000 Au\n0.239725 0.239725 -0.000000 Au\n0.422825 0.764265 0.187090 Se\n0.518455 0.322601 0.327319 Se\n0.577175 0.235735 0.812910 Se\n0.481545 0.677398 0.672682 Se\n0.004717 0.808864 0.327319 Se\n0.995283 0.191136 0.672681 Se\n",
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{
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"created_at": "2022-09-04T14:36:59.869472Z",
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"structure_string": "Ba4 V4 Cl4 O12\n1.0\n5.312140 -0.000000 0.000000\n-0.000000 7.395497 0.000000\n0.000000 0.000000 10.551770\nBa V Cl O\n4 4 4 12\ndirect\n0.750000 0.596472 0.304387 Ba\n0.250000 0.403529 0.695613 Ba\n0.250000 0.096471 0.195613 Ba\n0.750000 0.903529 0.804387 Ba\n0.250000 0.951322 0.543398 V\n0.250000 0.548678 0.043398 V\n0.750000 0.048678 0.456602 V\n0.750000 0.451322 0.956602 V\n0.250000 0.075350 0.896029 Cl\n0.750000 0.575350 0.603971 Cl\n0.750000 0.924650 0.103971 Cl\n0.250000 0.424650 0.396029 Cl\n0.250000 0.783827 0.646076 O\n0.992030 0.404373 0.093557 O\n0.492030 0.904374 0.406443 O\n0.507970 0.095627 0.593557 O\n0.007970 0.904374 0.406443 O\n0.750000 0.283827 0.853924 O\n0.250000 0.716173 0.146076 O\n0.492030 0.595627 0.906443 O\n0.507970 0.404373 0.093557 O\n0.992030 0.095627 0.593557 O\n0.750000 0.216173 0.353924 O\n0.007970 0.595627 0.906443 O\n",
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"formula_full": "Ba4 V4 Cl4 O12",
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{
"id": "jvasp-117435",
"created_at": "2022-09-04T14:38:27.441964Z",
"updated_at": "2022-09-04T14:38:27.441983Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n4.440173 -0.025613 -0.000049\n-0.166395 11.446259 -0.000070\n0.000068 0.000031 4.780455\nLi V O F\n4 4 4 12\ndirect\n0.010869 0.055372 0.253292 Li\n0.989128 0.944628 0.746709 Li\n0.510870 0.555373 0.246707 Li\n0.489130 0.444628 0.753289 Li\n0.030352 0.684843 0.724265 V\n0.969648 0.315156 0.275735 V\n0.469645 0.815156 0.224266 V\n0.530352 0.184843 0.775736 V\n0.740743 0.298325 0.565503 O\n0.759256 0.201675 0.065503 O\n0.240743 0.798325 0.934495 O\n0.259254 0.701675 0.434495 O\n0.747090 0.931536 0.092202 F\n0.237905 0.193529 0.428113 F\n0.252908 0.068464 0.907798 F\n0.259432 0.933128 0.413002 F\n0.240565 0.566871 0.913001 F\n0.247091 0.431536 0.407797 F\n0.262097 0.306471 0.928112 F\n0.737903 0.693529 0.071888 F\n0.759433 0.433129 0.086995 F\n0.752907 0.568464 0.592199 F\n0.740566 0.066871 0.586997 F\n0.762094 0.806472 0.571887 F\n",
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}
]
}