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{
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"results": [
{
"id": "jvasp-29488",
"created_at": "2022-09-04T14:38:17.094320Z",
"updated_at": "2022-09-04T14:38:17.094331Z",
"structure_string": "Au4 Se4 Cl4 O12\n1.0\n4.189923 0.005270 0.117821\n0.390869 9.677312 1.665637\n0.092445 0.058945 10.675036\nAu Se Cl O\n4 4 4 12\ndirect\n0.006982 0.577249 0.189501 Au\n0.000000 0.000000 0.000000 Au\n0.993016 0.422751 0.810500 Au\n-0.000001 -0.000000 0.500000 Au\n0.694518 0.862237 0.275483 Se\n0.226910 0.714395 0.898792 Se\n0.773089 0.285604 0.101209 Se\n0.305481 0.137763 0.724518 Se\n0.276940 0.199312 0.433340 Cl\n0.723058 0.800687 0.566660 Cl\n0.346564 0.501422 0.649125 Cl\n0.653434 0.498577 0.350876 Cl\n0.374591 0.049679 0.878243 O\n0.625408 0.950321 0.121758 O\n0.653482 0.354610 0.948122 O\n0.035898 0.759349 0.249019 O\n0.087336 0.169872 0.070798 O\n0.070079 0.395848 0.129301 O\n0.912662 0.830127 0.929203 O\n0.346516 0.645389 0.051879 O\n0.964101 0.240650 0.750982 O\n0.918522 0.993740 0.317242 O\n0.929919 0.604152 0.870700 O\n0.081477 0.006259 0.682759 O\n",
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{
"id": "jvasp-12114",
"created_at": "2022-09-04T14:38:17.091990Z",
"updated_at": "2022-09-04T14:38:17.092018Z",
"structure_string": "Sn4 P4 O12 F4\n1.0\n4.690486 0.054851 0.000000\n-0.944712 6.079343 0.000000\n0.000000 0.000000 12.554218\nSn P O F\n4 4 12 4\ndirect\n0.963468 0.731334 0.374299 Sn\n0.036533 0.268665 0.625701 Sn\n0.963468 0.231334 0.125701 Sn\n0.036533 0.768665 0.874299 Sn\n0.603647 0.163821 0.851854 P\n0.396354 0.336179 0.351853 P\n0.396354 0.836179 0.148147 P\n0.603647 0.663820 0.648147 P\n0.237562 0.477533 0.425149 O\n0.794823 0.802277 0.727658 O\n0.762439 0.522467 0.574851 O\n0.794823 0.302278 0.772343 O\n0.323680 0.046368 0.803914 O\n0.676321 0.453632 0.303914 O\n0.205178 0.197722 0.272343 O\n0.205178 0.697722 0.227658 O\n0.762439 0.022467 0.925149 O\n0.237562 0.977532 0.074851 O\n0.323680 0.546368 0.696087 O\n0.676321 0.953632 0.196086 O\n0.496278 0.156421 0.429724 F\n0.503723 0.843578 0.570277 F\n0.503723 0.343579 0.929724 F\n0.496278 0.656421 0.070276 F\n",
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"density_atomic": 0.06692040932402255,
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},
{
"id": "jvasp-56623",
"created_at": "2022-09-04T14:36:59.869472Z",
"updated_at": "2022-09-04T14:36:59.869503Z",
"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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"elements": [
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"formula_full": "Ba4 V4 Cl4 O12",
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},
{
"id": "jvasp-29453",
"created_at": "2022-09-04T14:37:03.053809Z",
"updated_at": "2022-09-04T14:37:03.053825Z",
"structure_string": "In4 Te4 Cl4 O12\n1.0\n6.931919 0.000000 0.000000\n0.000000 6.990264 -1.648401\n0.000000 -0.012329 8.350499\nIn Te Cl O\n4 4 4 12\ndirect\n0.249848 0.201841 0.321583 In\n0.750152 0.798158 0.678417 In\n0.749848 0.298159 0.678417 In\n0.250152 0.701841 0.321583 In\n0.268188 0.056556 0.708285 Te\n0.768188 0.443443 0.291715 Te\n0.231812 0.556556 0.708285 Te\n0.731812 0.943443 0.291715 Te\n0.206866 0.888473 0.089765 Cl\n0.793134 0.111526 0.910235 Cl\n0.293134 0.388473 0.089765 Cl\n0.706866 0.611526 0.910235 Cl\n0.716401 0.507624 0.527799 O\n0.216401 0.992375 0.472201 O\n0.555226 0.743373 0.314814 O\n0.944775 0.243373 0.314814 O\n0.445237 0.845204 0.689864 O\n0.054763 0.345204 0.689864 O\n0.945238 0.654795 0.310136 O\n0.554763 0.154795 0.310136 O\n0.444775 0.256626 0.685186 O\n0.283599 0.492376 0.472201 O\n0.783599 0.007624 0.527799 O\n0.055226 0.756626 0.685186 O\n",
"nsites": 24,
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],
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"density": 5.351113342605538,
"density_atomic": 0.05933391271655188,
"volume": 404.49043221963217,
"volume_molar": 10.149576328749434,
"formula_full": "In4 Te4 Cl4 O12",
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},
{
"id": "jvasp-28846",
"created_at": "2022-09-04T14:37:01.066775Z",
"updated_at": "2022-09-04T14:37:01.066800Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.387679 0.000001 0.000000\n-1.693839 2.933795 -0.000011\n-0.000003 -0.000148 38.313212\nTe Mo W Se\n2 2 2 6\ndirect\n0.666641 0.333282 0.420479 Te\n0.666648 0.333294 0.518816 Te\n0.333314 0.666628 0.469660 Mo\n0.666683 0.333364 0.281743 Mo\n0.333311 0.666620 0.093939 W\n0.666692 0.333382 0.657558 W\n0.333354 0.666708 0.324978 Se\n0.333368 0.666734 0.700771 Se\n0.666639 0.333278 0.050720 Se\n0.666643 0.333285 0.137357 Se\n0.333349 0.666698 0.238574 Se\n0.333357 0.666714 0.614155 Se\n",
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],
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},
{
"id": "jvasp-10563",
"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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],
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},
{
"id": "jvasp-104695",
"created_at": "2022-09-04T14:36:55.535697Z",
"updated_at": "2022-09-04T14:36:55.535728Z",
"structure_string": "Sm1 Mn1 Co3 Cu1\n1.0\n5.002144 0.000000 0.000000\n-2.501071 4.331984 0.000000\n0.000000 -0.000000 3.880781\nSm Mn Co Cu\n1 1 3 1\ndirect\n0.666666 0.333333 -0.000000 Sm\n0.333333 0.666666 -0.000000 Mn\n0.666034 0.833017 0.500000 Co\n0.166982 0.833017 0.500000 Co\n0.166983 0.333965 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n",
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],
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},
{
"id": "jvasp-51402",
"created_at": "2022-09-04T14:37:06.965508Z",
"updated_at": "2022-09-04T14:37:06.965536Z",
"structure_string": "K4 H4 C4 O12\n1.0\n0.000000 3.660739 0.077323\n5.632560 0.000000 0.000000\n0.000000 -3.711353 -14.593697\nK H C O\n4 4 4 12\ndirect\n0.965145 0.531587 0.334699 K\n0.034856 0.031587 0.165301 K\n0.034857 0.468413 0.665301 K\n0.965145 0.968413 0.834699 K\n0.517647 0.194619 0.487309 H\n0.482354 0.694619 0.012692 H\n0.482355 0.805381 0.512692 H\n0.517648 0.305381 0.987309 H\n0.376086 0.976648 0.618128 C\n0.623916 0.476648 0.881873 C\n0.623916 0.023352 0.381873 C\n0.376085 0.523352 0.118127 C\n0.421240 0.771267 0.574725 O\n0.717787 0.043020 0.307475 O\n0.282214 0.543020 0.192526 O\n0.282215 0.956979 0.692526 O\n0.717787 0.456979 0.807475 O\n0.568655 0.826574 0.418752 O\n0.431346 0.326574 0.081248 O\n0.431347 0.173426 0.581248 O\n0.568656 0.673426 0.918752 O\n0.578762 0.228733 0.425275 O\n0.421239 0.728733 0.074725 O\n0.578762 0.271267 0.925275 O\n",
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{
"id": "jvasp-9772",
"created_at": "2022-09-04T14:37:05.746211Z",
"updated_at": "2022-09-04T14:37:05.746234Z",
"structure_string": "Ag2 Hg2 As2 S6\n1.0\n6.461802 0.020222 -1.448880\n-3.587431 5.374536 -1.448880\n-0.019786 -0.037136 7.849230\nAg Hg As S\n2 2 2 6\ndirect\n0.016481 0.992314 0.252504 Ag\n0.992312 0.016480 0.752503 Ag\n0.658826 0.307890 0.228219 Hg\n0.307890 0.658826 0.728219 Hg\n0.323534 0.624226 0.209091 As\n0.624225 0.323534 0.709091 As\n0.972454 0.226824 0.051905 S\n0.226824 0.972455 0.551906 S\n0.815706 0.234209 0.513381 S\n0.566428 0.579906 0.577299 S\n0.579906 0.566429 0.077299 S\n0.234210 0.815707 0.013381 S\n",
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{
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"created_at": "2022-09-04T14:37:07.181732Z",
"updated_at": "2022-09-04T14:37:07.181759Z",
"structure_string": "V4 Pb4 Cl4 O12\n1.0\n5.309293 -0.000000 0.000000\n0.000000 7.178367 0.000000\n0.000000 0.000000 10.132520\nV Pb Cl O\n4 4 4 12\ndirect\n0.750000 0.930266 0.527178 V\n0.250000 0.430265 0.972822 V\n0.750000 0.569735 0.027178 V\n0.250000 0.069735 0.472822 V\n0.750000 0.397127 0.672708 Pb\n0.750000 0.102873 0.172708 Pb\n0.250000 0.897127 0.827292 Pb\n0.250000 0.602873 0.327292 Pb\n0.750000 0.445588 0.393906 Cl\n0.750000 0.054413 0.893906 Cl\n0.250000 0.554413 0.606094 Cl\n0.250000 0.945588 0.106094 Cl\n0.493281 0.887678 0.410700 O\n0.006718 0.612322 0.910700 O\n0.250000 0.234073 0.360173 O\n0.750000 0.765927 0.639827 O\n0.506718 0.112322 0.589300 O\n0.993281 0.112322 0.589300 O\n0.993281 0.387678 0.089300 O\n0.493281 0.612322 0.910700 O\n0.006718 0.887678 0.410700 O\n0.506718 0.387678 0.089300 O\n0.750000 0.734073 0.139827 O\n0.250000 0.265927 0.860173 O\n",
"nsites": 24,
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],
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{
"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",
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],
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"volume": 330.2712150359077,
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"formula_full": "Mo2 W2 Se6 S2",
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},
{
"id": "jvasp-29032",
"created_at": "2022-09-04T14:36:54.888859Z",
"updated_at": "2022-09-04T14:36:54.888877Z",
"structure_string": "Te2 Mo2 W2 S6\n1.0\n3.288161 0.000000 0.000000\n-1.644081 2.846995 0.000023\n0.000000 0.000269 38.677376\nTe Mo W S\n2 2 2 6\ndirect\n0.666734 0.333467 0.419336 Te\n0.666732 0.333463 0.519251 Te\n0.333341 0.666682 0.469252 Mo\n0.666660 0.333320 0.281030 Mo\n0.333309 0.666619 0.093906 W\n0.666699 0.333398 0.658794 W\n0.333247 0.666495 0.320655 S\n0.333305 0.666611 0.698528 S\n0.666706 0.333413 0.054069 S\n0.666706 0.333412 0.133784 S\n0.333247 0.666494 0.241296 S\n0.333309 0.666618 0.618848 S\n",
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],
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}
]
}