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{
"id": "jvasp-112641",
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"updated_at": "2022-09-04T14:38:42.980924Z",
"structure_string": "Sr4 Mn2 Cu3 Se4 O4\n1.0\n9.428365 -0.026546 0.000000\n-7.664692 5.490653 0.000000\n-0.000000 -0.000000 5.741074\nSr Mn Cu Se O\n4 2 3 4 4\ndirect\n0.406302 0.096346 0.748847 Sr\n0.903653 0.593697 0.251152 Sr\n0.096346 0.406301 0.251152 Sr\n0.593698 0.903652 0.748847 Sr\n0.500000 -0.000000 0.250270 Mn\n-0.000000 0.500000 0.749729 Mn\n0.500000 0.499999 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.499999 0.500000 Cu\n0.165012 0.329059 0.753044 Se\n0.670940 0.834987 0.246956 Se\n0.329059 0.165012 0.246956 Se\n0.834988 0.670940 0.753044 Se\n0.751369 0.248630 0.500000 O\n0.248630 0.751369 0.500000 O\n0.749721 0.250278 -0.000000 O\n0.250278 0.749721 -0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:38:42.979349Z",
"structure_string": "Ce1 Y1 Co17\n1.0\n6.194128 0.000477 0.762143\n0.674171 6.157331 0.762143\n0.000531 0.000477 6.240840\nCe Y Co\n1 1 17\ndirect\n0.653142 0.653143 0.653142 Ce\n0.342171 0.342172 0.342171 Y\n0.004598 0.498560 0.004598 Co\n0.498560 0.004598 0.004598 Co\n0.004598 0.004598 0.498560 Co\n0.654174 0.143633 0.654174 Co\n0.143632 0.654175 0.654174 Co\n0.654174 0.654175 0.143632 Co\n0.347154 0.846329 0.347153 Co\n0.846329 0.347154 0.347153 Co\n0.347154 0.347154 0.846328 Co\n0.289605 0.713130 -0.000338 Co\n0.713130 -0.000337 0.289604 Co\n-0.000338 0.289605 0.713130 Co\n0.289604 -0.000337 0.713130 Co\n-0.000337 0.713130 0.289604 Co\n0.713130 0.289605 -0.000338 Co\n0.902601 0.902602 0.902600 Co\n0.096915 0.096915 0.096915 Co\n",
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{
"id": "jvasp-112655",
"created_at": "2022-09-04T14:38:42.979210Z",
"updated_at": "2022-09-04T14:38:42.979241Z",
"structure_string": "Nb4 Cr1 C2 S4\n1.0\n3.302400 0.000000 0.000000\n-0.000000 5.623643 1.226740\n-0.000000 0.015297 8.670317\nNb Cr C S\n4 1 2 4\ndirect\n0.500000 0.623078 0.637670 Nb\n0.000000 0.120447 0.635978 Nb\n0.500000 0.376922 0.362330 Nb\n0.000000 0.879553 0.364022 Nb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.772993 0.157339 S\n0.000000 0.274248 0.162543 S\n0.500000 0.227007 0.842661 S\n0.000000 0.725752 0.837457 S\n",
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"elements": [
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"formula_full": "Nb4 Cr1 C2 S4",
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{
"id": "jvasp-115064",
"created_at": "2022-09-04T14:38:42.976109Z",
"updated_at": "2022-09-04T14:38:42.976135Z",
"structure_string": "Mg1 H1 O1\n1.0\n5.602714 1.146180 0.000000\n1.067904 3.056281 0.000000\n0.000000 0.000000 3.369085\nMg H O\n1 1 1\ndirect\n0.294590 0.187485 0.000000 Mg\n-0.117272 0.060642 0.000000 H\n0.082288 -0.120296 0.000000 O\n",
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},
{
"id": "jvasp-114643",
"created_at": "2022-09-04T14:38:42.973033Z",
"updated_at": "2022-09-04T14:38:42.973043Z",
"structure_string": "Be1 Sb1 P1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBe Sb P\n1 1 1\ndirect\n0.261526 0.002387 0.000000 Be\n0.065141 0.374272 0.000000 Sb\n-0.039248 -0.108401 0.000000 P\n",
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"spacegroup": 6
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{
"id": "jvasp-112029",
"created_at": "2022-09-04T14:38:42.970262Z",
"updated_at": "2022-09-04T14:38:42.970287Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.462663 -0.075018 -0.045871\n-1.221714 4.313145 -0.197644\n0.104626 -0.036652 7.278432\nZn H C O\n1 4 4 4\ndirect\n0.359657 0.851040 0.271778 Zn\n0.574878 0.046915 0.678443 H\n0.061855 0.089304 0.754097 H\n0.657626 0.612714 0.789429 H\n0.144582 0.655072 0.865098 H\n0.029154 0.328950 0.515275 C\n0.868365 0.221471 0.701630 C\n0.851082 0.480528 0.841904 C\n0.690255 0.373068 0.028258 C\n0.958842 0.123867 0.379346 O\n0.234642 0.612132 0.502852 O\n0.760556 0.578163 0.164181 O\n0.484730 0.089891 0.040682 O\n",
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"density_atomic": 0.12033562063542798,
"volume": 108.03118753494569,
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"formula_full": "Zn1 H4 C4 O4",
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"formula_anonymous": "AB4C4D4",
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{
"id": "jvasp-116511",
"created_at": "2022-09-04T14:38:42.962582Z",
"updated_at": "2022-09-04T14:38:42.962607Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.847664 -0.074079 0.056779\n0.122016 4.919009 0.130511\n-0.307913 -0.183435 14.179189\nLi Mn Co O\n7 2 3 12\ndirect\n0.001080 0.332649 0.653457 Li\n0.498773 0.149062 0.357007 Li\n0.000000 0.000000 0.000000 Li\n0.501228 0.850938 0.642993 Li\n-0.001078 0.667352 0.346543 Li\n0.500000 0.500000 0.000000 Li\n0.000001 0.000000 0.500000 Li\n-0.000649 0.672200 0.832486 Mn\n0.000651 0.327801 0.167514 Mn\n0.499353 0.170800 0.833672 Co\n0.500649 0.829201 0.166328 Co\n0.500001 0.500000 0.500000 Co\n0.501234 0.493370 0.237535 O\n0.498767 0.506631 0.762465 O\n-0.000607 0.346953 0.425356 O\n0.500081 0.165476 0.090851 O\n0.998729 0.004169 0.763032 O\n0.499691 0.806425 0.421708 O\n0.000073 0.661043 0.091995 O\n0.500311 0.193575 0.578292 O\n0.001271 -0.004169 0.236968 O\n0.499921 0.834525 0.909149 O\n0.000609 0.653048 0.574644 O\n-0.000071 0.338958 0.908005 O\n",
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"volume": 198.9016530507348,
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "jvasp-112130",
"created_at": "2022-09-04T14:38:42.961110Z",
"updated_at": "2022-09-04T14:38:42.961131Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.830465 0.155151 0.596362\n1.672586 4.403245 0.175033\n0.700668 -0.136503 14.872215\nZn H C O\n1 16 10 4\ndirect\n0.618993 0.100428 0.169278 Zn\n0.212743 0.865333 0.529066 H\n0.643550 0.355863 0.950651 H\n0.126590 0.219935 0.956499 H\n0.925404 0.347329 0.768510 H\n0.383662 0.259047 0.791483 H\n0.235160 0.359397 0.593978 H\n0.676197 0.290728 0.624710 H\n0.562470 0.392254 0.422320 H\n0.990616 0.338972 0.457714 H\n0.666291 0.827950 0.871826 H\n0.126789 0.742575 0.891626 H\n0.923031 0.839256 0.697429 H\n0.365571 0.771416 0.726648 H\n0.509167 0.913532 0.363248 H\n0.915179 0.878338 0.403711 H\n0.642604 0.808163 0.563395 H\n0.771125 0.587322 0.051035 C\n0.871242 0.434053 0.956550 C\n0.937549 0.634890 0.876907 C\n0.113984 0.453167 0.785087 C\n0.194961 0.653674 0.706724 C\n0.714518 0.515596 0.447850 C\n0.486189 0.684530 0.539605 C\n0.781298 0.741570 0.376693 C\n0.036862 0.607298 0.284869 C\n0.404156 0.475927 0.615273 C\n0.816375 0.420359 0.120587 O\n0.051882 0.788547 0.219632 O\n0.241026 0.316765 0.278552 O\n0.656115 0.882141 0.055945 O\n",
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{
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"structure_string": "Zn1 H1 C1\n1.0\n3.473288 0.000000 -0.000000\n-1.736644 3.007955 0.000000\n-0.000000 0.000000 2.770536\nZn H C\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Zn\n0.333334 0.666668 0.000000 H\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:38:42.956184Z",
"updated_at": "2022-09-04T14:38:42.956221Z",
"structure_string": "Tm4 Sb4 O16\n1.0\n5.319134 -0.000000 0.000000\n0.000000 7.400856 1.081372\n-0.000000 -0.033386 7.565818\nTm Sb O\n4 4 16\ndirect\n0.726703 0.613443 0.143340 Tm\n0.273296 0.386558 0.856660 Tm\n0.773296 0.113442 0.143340 Tm\n0.226703 0.886558 0.856660 Tm\n0.769329 0.189590 0.663477 Sb\n0.230670 0.810411 0.336523 Sb\n0.269329 0.310410 0.336524 Sb\n0.730670 0.689590 0.663476 Sb\n0.486860 0.115927 0.824495 O\n0.513139 0.884073 0.175505 O\n0.521010 0.673573 0.889790 O\n0.478989 0.326427 0.110210 O\n0.021010 0.826427 0.110210 O\n0.978989 0.173573 0.889790 O\n0.402510 0.812797 0.572076 O\n0.608669 0.435360 0.670495 O\n0.891330 0.935361 0.670495 O\n0.108669 0.064640 0.329505 O\n0.986860 0.384073 0.175505 O\n0.391331 0.564640 0.329505 O\n0.097490 0.312797 0.572076 O\n0.902509 0.687204 0.427924 O\n0.597490 0.187203 0.427924 O\n0.013139 0.615927 0.824495 O\n",
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{
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"structure_string": "Dy4 Mg2 Se8\n1.0\n7.029373 0.031220 -2.647293\n-3.356093 6.176544 -2.647293\n-0.018474 -0.031220 7.511318\nDy Mg Se\n4 2 8\ndirect\n0.875000 0.749640 0.374641 Dy\n0.499641 0.125000 0.874641 Dy\n0.375000 0.500359 0.625360 Dy\n0.250359 0.625000 0.125359 Dy\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.508265 0.378116 0.261937 Se\n0.753672 0.491735 0.869853 Se\n0.116181 0.246328 0.738063 Se\n0.621883 0.883819 0.130147 Se\n0.241735 0.003672 0.369853 Se\n0.996327 0.366180 0.238063 Se\n0.633819 0.871883 0.630148 Se\n0.128117 0.758264 0.761937 Se\n",
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"created_at": "2022-09-04T14:38:42.951988Z",
"updated_at": "2022-09-04T14:38:42.952015Z",
"structure_string": "Dy2 Cu6 S6\n1.0\n5.968974 -0.003698 4.424984\n2.225878 5.538423 4.424984\n-0.005475 -0.003698 7.430282\nDy Cu S\n2 6 6\ndirect\n0.833513 0.833511 0.833511 Dy\n0.166488 0.166487 0.166487 Dy\n0.965287 0.622853 0.280085 Cu\n0.280086 0.965286 0.622853 Cu\n0.622855 0.280084 0.965286 Cu\n0.377146 0.719914 0.034713 Cu\n0.719915 0.034713 0.377146 Cu\n0.034714 0.377146 0.719914 Cu\n0.746194 0.418075 0.087455 S\n0.418076 0.087454 0.746194 S\n0.087456 0.746194 0.418075 S\n0.912545 0.253805 0.581924 S\n0.581925 0.912544 0.253805 S\n0.253807 0.581924 0.912544 S\n",
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]
}