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{
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"results": [
{
"id": "jvasp-21327",
"created_at": "2022-09-04T14:37:07.703789Z",
"updated_at": "2022-09-04T14:37:07.703810Z",
"structure_string": "Zn4 Bi2 W2 O12\n1.0\n0.000000 5.485251 -0.100533\n5.520271 0.000000 0.000000\n0.000000 -5.114766 -8.131348\nZn Bi W O\n4 2 2 12\ndirect\n0.288443 0.988251 0.256532 Zn\n0.711556 0.488251 0.243468 Zn\n0.711556 0.011749 0.743468 Zn\n0.288443 0.511749 0.756532 Zn\n0.500000 0.000000 -0.000000 Bi\n0.499999 0.500000 0.500000 Bi\n-0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.666402 0.133552 0.285757 O\n0.333597 0.633552 0.214243 O\n0.739853 0.633470 0.059411 O\n0.260146 0.133470 0.440589 O\n0.260145 0.366530 0.940589 O\n0.980469 0.196923 0.096061 O\n0.019530 0.803077 0.903939 O\n0.980469 0.303077 0.596061 O\n0.333597 0.866448 0.714243 O\n0.019530 0.696922 0.403939 O\n0.739853 0.866530 0.559411 O\n0.666402 0.366448 0.785757 O\n",
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{
"id": "jvasp-13027",
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"updated_at": "2022-09-04T14:37:07.790722Z",
"structure_string": "Li4 Be4 N4\n1.0\n0.000000 4.516944 0.034140\n4.733558 0.000000 0.000000\n0.000000 -3.329326 -4.773435\nLi Be N\n4 4 4\ndirect\n0.675808 0.457012 0.911861 Li\n0.324189 0.957012 0.588137 Li\n0.324190 0.542989 0.088138 Li\n0.675808 0.042988 0.411862 Li\n0.916551 0.606344 0.606579 Be\n0.083446 0.106344 0.893420 Be\n0.083446 0.393656 0.393420 Be\n0.916552 0.893657 0.106579 Be\n0.846760 0.802774 0.800697 N\n0.153236 0.302774 0.699302 N\n0.153237 0.197226 0.199302 N\n0.846761 0.697227 0.300697 N\n",
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{
"id": "jvasp-47954",
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"updated_at": "2022-09-04T14:37:07.884931Z",
"structure_string": "Fe8 O4 F12\n1.0\n0.000000 5.680985 -0.075387\n4.685846 0.000000 0.000000\n0.000000 -1.213109 -10.511926\nFe O F\n8 4 12\ndirect\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.256468 0.469990 0.272258 Fe\n0.743532 0.530011 0.727743 Fe\n0.256468 0.030011 0.772258 Fe\n0.500000 0.000000 0.500000 Fe\n0.743532 0.969990 0.227742 Fe\n0.000000 0.000000 0.000000 Fe\n0.270651 0.291771 0.433353 O\n0.270651 0.208230 0.933353 O\n0.729350 0.791771 0.066647 O\n0.729349 0.708230 0.566648 O\n0.519708 0.202100 0.678983 F\n0.480293 0.797901 0.321018 F\n0.230971 0.796986 0.590172 F\n0.984246 0.782460 0.826582 F\n0.480293 0.702100 0.821018 F\n0.230971 0.703015 0.090172 F\n0.984246 0.717541 0.326582 F\n0.769029 0.296986 0.909829 F\n0.519708 0.297900 0.178983 F\n0.015755 0.282460 0.673419 F\n0.015755 0.217541 0.173418 F\n0.769030 0.203015 0.409828 F\n",
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{
"id": "jvasp-50792",
"created_at": "2022-09-04T14:37:08.086743Z",
"updated_at": "2022-09-04T14:37:08.086762Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.183653 -0.056217\n7.998706 0.000000 0.000000\n0.000000 -5.996697 -13.331781\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.661761 0.617332 0.744187 Ca\n0.338238 0.117332 0.755813 Ca\n0.661761 0.882668 0.244187 Ca\n0.338238 0.382668 0.255813 Ca\n0.922230 0.556499 0.251801 I\n0.077769 0.056498 0.248199 I\n0.536419 0.682489 0.400559 I\n0.700548 0.156064 0.406587 I\n0.299452 0.843937 0.593413 I\n0.077769 0.443502 0.748199 I\n0.922230 0.943502 0.751801 I\n0.463580 0.182489 0.099441 I\n0.536419 0.817512 0.900559 I\n0.700547 0.343937 0.906587 I\n0.463580 0.317511 0.599441 I\n0.299452 0.656064 0.093413 I\n",
"nsites": 18,
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{
"id": "jvasp-55522",
"created_at": "2022-09-04T14:37:07.891497Z",
"updated_at": "2022-09-04T14:37:07.891532Z",
"structure_string": "P4 Pb4 S12\n1.0\n0.000000 6.720858 -0.005319\n7.481925 0.000000 0.000000\n0.000000 -6.419616 -9.417320\nP Pb S\n4 4 12\ndirect\n0.875590 0.139178 0.713012 P\n0.875591 0.860822 0.213012 P\n0.132886 0.360813 0.844749 P\n0.132887 0.639188 0.344749 P\n0.788231 0.634975 0.526391 Pb\n0.220258 0.134993 0.531367 Pb\n0.220258 0.865008 0.031367 Pb\n0.788231 0.365026 0.026391 Pb\n0.099385 0.053484 0.221162 S\n0.371226 0.255799 0.040461 S\n0.725046 0.946247 0.317003 S\n0.099384 0.946517 0.721162 S\n0.637256 0.755815 0.017295 S\n0.909093 0.553468 0.836600 S\n0.725045 0.053753 0.817003 S\n0.909093 0.446532 0.336599 S\n0.371226 0.744202 0.540461 S\n0.283428 0.553744 0.240760 S\n0.637256 0.244186 0.517295 S\n0.283428 0.446257 0.740760 S\n",
"nsites": 20,
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"density": 4.687433847435265,
"density_atomic": 0.042211458799788625,
"volume": 473.80499439408504,
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"formula_full": "P4 Pb4 S12",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-12825",
"created_at": "2022-09-04T14:37:07.970059Z",
"updated_at": "2022-09-04T14:37:07.970087Z",
"structure_string": "Na12 B4 O12\n1.0\n5.686726 0.000000 -0.258605\n0.000000 7.457900 0.000000\n-0.012613 0.000000 8.021148\nNa B O\n12 4 12\ndirect\n0.376074 0.220175 0.776294 Na\n0.123927 0.720175 0.723707 Na\n0.623927 0.779825 0.223707 Na\n0.876074 0.279825 0.276294 Na\n0.253290 0.473946 0.045138 Na\n0.246710 0.973946 0.454863 Na\n0.746711 0.526054 0.954863 Na\n0.753291 0.026054 0.545138 Na\n0.116159 0.849478 0.070380 Na\n0.383841 0.349478 0.429620 Na\n0.883842 0.150522 0.929621 Na\n0.616160 0.650522 0.570381 Na\n0.933519 0.339927 0.653624 B\n0.566483 0.839927 0.846377 B\n0.066482 0.660073 0.346377 B\n0.433519 0.160073 0.153624 B\n0.189012 0.146784 0.129952 O\n0.310989 0.646784 0.370048 O\n0.810989 0.853216 0.870048 O\n0.689012 0.353216 0.629953 O\n0.561784 0.266444 0.046996 O\n0.938217 0.766444 0.453005 O\n0.438217 0.733556 0.953005 O\n0.061784 0.233556 0.546995 O\n0.546534 0.082700 0.293900 O\n0.953467 0.582700 0.206101 O\n0.453467 0.917300 0.706101 O\n0.046534 0.417300 0.793899 O\n",
"nsites": 28,
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],
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"density_atomic": 0.08231399862674378,
"volume": 340.1608531614064,
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"formula_full": "Na12 B4 O12",
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"spacegroup": 14
},
{
"id": "jvasp-13132",
"created_at": "2022-09-04T14:37:07.991231Z",
"updated_at": "2022-09-04T14:37:07.991260Z",
"structure_string": "Rb2 Au2 Br8\n1.0\n0.000000 7.450859 0.023823\n6.081668 0.000000 0.000000\n0.000000 -5.616550 -8.763958\nRb Au Br\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.609321 0.989747 0.877193 Br\n0.390680 0.489746 0.622807 Br\n0.390680 0.010254 0.122807 Br\n0.609321 0.510254 0.377193 Br\n0.959510 0.307399 0.828930 Br\n0.040491 0.807399 0.671071 Br\n0.040491 0.692601 0.171071 Br\n0.959509 0.192601 0.328930 Br\n",
"nsites": 12,
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"elements": [
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],
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"volume": 396.31318617123895,
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},
{
"id": "jvasp-13401",
"created_at": "2022-09-04T14:37:08.017234Z",
"updated_at": "2022-09-04T14:37:08.017266Z",
"structure_string": "Si4 H12 I4\n1.0\n0.000000 4.512955 -0.072487\n8.337932 0.000000 0.000000\n0.000000 -2.393692 -10.212006\nSi H I\n4 12 4\ndirect\n0.558714 0.928701 0.290733 Si\n0.441287 0.428701 0.209268 Si\n0.441288 0.071299 0.709268 Si\n0.558714 0.571299 0.790733 Si\n0.778773 0.013758 0.227032 H\n0.221228 0.513758 0.272969 H\n0.221228 0.986242 0.772969 H\n0.778774 0.486242 0.727032 H\n0.411962 0.462136 0.871246 H\n0.588040 0.962136 0.628755 H\n0.588040 0.537864 0.128755 H\n0.411962 0.037864 0.371245 H\n0.333746 0.667311 0.696773 H\n0.666257 0.167311 0.803228 H\n0.666256 0.332689 0.303228 H\n0.333745 0.832689 0.196772 H\n0.863816 0.730459 0.443291 I\n0.136185 0.230459 0.056710 I\n0.136186 0.269540 0.556710 I\n0.863816 0.769540 0.943291 I\n",
"nsites": 20,
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"formula_full": "Si4 H12 I4",
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{
"id": "jvasp-113",
"created_at": "2022-09-04T14:37:08.274030Z",
"updated_at": "2022-09-04T14:37:08.274050Z",
"structure_string": "Zr4 O8\n1.0\n0.000000 5.173242 -0.035591\n5.260571 0.000000 0.000000\n0.000000 -0.898774 -5.267202\nZr O\n4 8\ndirect\n0.276666 0.041712 0.209657 Zr\n0.276667 0.458287 0.709657 Zr\n0.723334 0.541712 0.290342 Zr\n0.723334 0.958287 0.790342 Zr\n0.928410 0.838130 0.160291 O\n0.928410 0.661869 0.660291 O\n0.448209 0.742076 0.979693 O\n0.551791 0.242076 0.520307 O\n0.448209 0.757924 0.479693 O\n0.551791 0.257924 0.020307 O\n0.071590 0.338131 0.339708 O\n0.071591 0.161869 0.839708 O\n",
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"volume": 143.51100124376993,
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"spacegroup": 14
},
{
"id": "jvasp-30347",
"created_at": "2022-09-04T14:37:08.427626Z",
"updated_at": "2022-09-04T14:37:08.427642Z",
"structure_string": "Sb8 I4 O10\n1.0\n5.221482 0.000000 0.000000\n0.000000 7.097452 -0.847746\n0.000000 -0.086095 13.697760\nSb I O\n8 4 10\ndirect\n0.625650 0.182005 0.297063 Sb\n0.125650 0.817995 0.202937 Sb\n0.374350 0.817995 0.702937 Sb\n0.874349 0.182006 0.797063 Sb\n0.721934 0.835467 0.447355 Sb\n0.221935 0.164533 0.052645 Sb\n0.278065 0.164533 0.552645 Sb\n0.778065 0.835468 0.947355 Sb\n0.788901 0.504632 0.620237 I\n0.288901 0.495369 0.879763 I\n0.711099 0.504631 0.120237 I\n0.211099 0.495369 0.379763 I\n0.500000 0.000000 0.000000 O\n0.505659 0.935626 0.582759 O\n0.005659 0.064375 0.917241 O\n0.494341 0.064375 0.417242 O\n0.994341 0.935625 0.082759 O\n0.838165 0.928755 0.290572 O\n0.338165 0.071245 0.209428 O\n0.161834 0.071246 0.709428 O\n0.661834 0.928755 0.790572 O\n0.000000 0.000000 0.500000 O\n",
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],
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"volume": 507.247173389083,
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"formula_full": "Sb8 I4 O10",
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},
{
"id": "jvasp-12839",
"created_at": "2022-09-04T14:37:08.485396Z",
"updated_at": "2022-09-04T14:37:08.485419Z",
"structure_string": "K12 Ga4 S12\n1.0\n7.730199 -0.037233 0.000000\n-1.601452 7.992286 0.000000\n0.000000 0.000000 12.457551\nK Ga S\n12 4 12\ndirect\n0.268243 0.609009 0.095176 K\n0.231757 0.890992 0.595176 K\n0.731757 0.390992 0.904824 K\n0.768243 0.109008 0.404824 K\n0.288324 0.427555 0.814567 K\n0.211677 0.072445 0.314567 K\n0.711677 0.572446 0.185433 K\n0.788324 0.927556 0.685433 K\n0.148213 0.524621 0.377671 K\n0.351788 0.975380 0.877671 K\n0.851788 0.475380 0.622329 K\n0.648213 0.024621 0.122329 K\n0.601589 0.665250 0.437163 Ga\n0.898412 0.834751 0.937163 Ga\n0.398412 0.334751 0.562837 Ga\n0.101589 0.165250 0.062837 Ga\n0.468602 0.625253 0.607263 S\n0.031399 0.874748 0.107263 S\n0.531399 0.374748 0.392737 S\n0.968602 0.125253 0.892737 S\n0.464670 0.810217 0.318841 S\n0.035330 0.689784 0.818840 S\n0.535330 0.189784 0.681159 S\n0.964670 0.310217 0.181159 S\n0.895620 0.766285 0.448828 S\n0.604381 0.733717 0.948828 S\n0.104381 0.233716 0.551172 S\n0.395620 0.266284 0.051172 S\n",
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"volume": 768.9091284102681,
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"formula_full": "K12 Ga4 S12",
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},
{
"id": "jvasp-29524",
"created_at": "2022-09-04T14:37:08.523056Z",
"updated_at": "2022-09-04T14:37:08.523077Z",
"structure_string": "V4 Te4 O16\n1.0\n4.347808 0.021049 0.000000\n-0.136900 5.449298 0.000000\n0.000000 0.000000 13.481009\nV Te O\n4 4 16\ndirect\n0.332026 0.833343 0.660069 V\n0.667975 0.166658 0.339931 V\n0.667975 0.666658 0.160069 V\n0.332026 0.333343 0.839931 V\n0.047655 0.648926 0.390446 Te\n0.047655 0.148926 0.109554 Te\n0.952345 0.851074 0.890446 Te\n0.952345 0.351074 0.609554 Te\n0.711751 0.322227 0.835376 O\n0.185064 0.127564 0.952846 O\n0.288249 0.677774 0.164624 O\n0.288249 0.177773 0.335376 O\n0.745538 0.380579 0.079260 O\n0.254463 0.619422 0.920740 O\n0.792863 0.484803 0.276897 O\n0.207137 0.015197 0.776897 O\n0.814936 0.372436 0.452846 O\n0.792863 0.984803 0.223103 O\n0.814936 0.872437 0.047154 O\n0.711751 0.822227 0.664624 O\n0.745538 0.880579 0.420740 O\n0.185064 0.627564 0.547154 O\n0.207137 0.515197 0.723104 O\n0.254463 0.119421 0.579260 O\n",
"nsites": 24,
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],
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"spacegroup": 14
}
]
}