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"results": [
{
"id": "jvasp-97444",
"created_at": "2022-09-04T14:36:02.034275Z",
"updated_at": "2022-09-04T14:36:02.034305Z",
"structure_string": "Si8 O16\n1.0\n6.677961 -0.560825 0.000000\n-1.079132 6.614013 -0.000000\n-0.000000 0.000000 9.183742\nSi O\n8 16\ndirect\n0.680680 0.927810 0.415382 Si\n0.927811 0.680679 0.915382 Si\n0.319320 0.072189 0.915382 Si\n0.680680 0.927810 0.084618 Si\n0.319320 0.072189 0.584618 Si\n0.072189 0.319320 0.415382 Si\n0.927811 0.680679 0.584618 Si\n0.072189 0.319320 0.084618 Si\n0.500000 -0.000000 0.000000 O\n0.606996 0.859733 0.250000 O\n0.140266 0.393004 0.250000 O\n0.883546 0.116453 0.410641 O\n0.733556 0.733556 0.000000 O\n0.116454 0.883545 0.910641 O\n0.266444 0.266443 0.500000 O\n0.733556 0.733556 0.500000 O\n0.859734 0.606995 0.750000 O\n0.393004 0.140266 0.750000 O\n0.500000 -0.000000 0.500000 O\n0.883546 0.116453 0.089359 O\n0.116454 0.883545 0.589359 O\n0.266444 0.266443 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:36:19.740886Z",
"structure_string": "Li4 Mn2 F8\n1.0\n3.251595 0.000000 0.000000\n0.000000 8.605237 0.000000\n0.000000 0.000000 8.616459\nLi Mn F\n4 2 8\ndirect\n0.000000 0.258206 0.988361 Li\n0.000000 0.234573 0.487986 Li\n0.000000 0.758206 0.011639 Li\n0.000000 0.734573 0.512014 Li\n0.499999 0.996211 0.249973 Mn\n0.499999 0.496210 0.750027 Mn\n0.000000 0.110344 0.136082 F\n0.499999 0.169634 0.423026 F\n0.499999 0.323073 0.923347 F\n0.000000 0.382110 0.636064 F\n0.000000 0.610344 0.863918 F\n0.499999 0.669635 0.576974 F\n0.499999 0.823073 0.076653 F\n0.000000 0.882110 0.363936 F\n",
"nsites": 14,
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{
"id": "jvasp-120277",
"created_at": "2022-09-04T14:38:46.731372Z",
"updated_at": "2022-09-04T14:38:46.731400Z",
"structure_string": "Li1 Al1 N1\n1.0\n3.588380 0.000000 -0.000000\n-1.794190 3.107628 0.000000\n0.000000 0.000000 3.577868\nLi Al N\n1 1 1\ndirect\n0.000000 0.000000 0.500001 Li\n0.666667 0.333334 0.000000 Al\n0.666667 0.333334 0.500001 N\n",
"nsites": 3,
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"elements": [
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"volume": 39.89805890370445,
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},
{
"id": "jvasp-3072",
"created_at": "2022-09-04T14:37:02.766280Z",
"updated_at": "2022-09-04T14:37:02.766302Z",
"structure_string": "Li2 Be2 P2\n1.0\n3.612461 0.000000 0.000000\n0.000000 3.612461 0.000000\n0.000000 0.000000 5.987335\nLi Be P\n2 2 2\ndirect\n0.500000 0.000000 0.354968 Li\n0.000000 0.500000 0.645033 Li\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.781136 P\n0.000000 0.500000 0.218865 P\n",
"nsites": 6,
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],
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{
"id": "jvasp-116031",
"created_at": "2022-09-04T14:38:40.324441Z",
"updated_at": "2022-09-04T14:38:40.324465Z",
"structure_string": "N1 O1 F2\n1.0\n3.742489 -0.000000 -0.000000\n-0.000000 3.742489 -0.000000\n0.000000 0.000000 4.043450\nN O F\n1 1 2\ndirect\n0.500001 0.500001 0.513630 N\n0.000000 0.000000 0.002129 O\n0.000000 0.000000 0.655181 F\n0.500001 0.500001 0.839060 F\n",
"nsites": 4,
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"formula_full": "N1 O1 F2",
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},
{
"id": "jvasp-97856",
"created_at": "2022-09-04T14:35:53.439235Z",
"updated_at": "2022-09-04T14:35:53.439262Z",
"structure_string": "B2 H22 C8 Br2 N2 F8\n1.0\n5.634249 0.000000 -1.476690\n0.000000 7.609273 0.000000\n-0.041421 0.000000 9.329095\nB H C Br N F\n2 22 8 2 2 8\ndirect\n0.053402 0.750000 0.759320 B\n0.946598 0.250000 0.240680 B\n0.762249 0.415157 0.757792 H\n0.288888 0.596156 0.060371 H\n0.249655 0.369210 0.586170 H\n0.750345 0.630790 0.413831 H\n0.174411 0.368342 0.823641 H\n0.711112 0.096156 0.939630 H\n0.825589 0.868341 0.176360 H\n0.825589 0.631658 0.176360 H\n0.514180 0.527780 0.794146 H\n0.711112 0.403844 0.939630 H\n0.514180 0.972219 0.794146 H\n0.237751 0.915156 0.242208 H\n0.237751 0.584843 0.242208 H\n0.249655 0.130790 0.586170 H\n0.485820 0.472219 0.205855 H\n0.288888 0.903844 0.060371 H\n0.635878 0.750000 0.024314 H\n0.762249 0.084843 0.757792 H\n0.174411 0.131658 0.823641 H\n0.485820 0.027780 0.205855 H\n0.364122 0.250000 0.975686 H\n0.750345 0.869210 0.413831 H\n0.643426 0.750000 0.387025 C\n0.628222 0.412174 0.820608 C\n0.371778 0.912174 0.179393 C\n0.718607 0.750000 0.143350 C\n0.356575 0.250000 0.612975 C\n0.281394 0.250000 0.856651 C\n0.371778 0.587825 0.179393 C\n0.628222 0.087826 0.820608 C\n0.583912 0.250000 0.491361 Br\n0.416088 0.750000 0.508640 Br\n0.522504 0.750000 0.222910 N\n0.477496 0.250000 0.777090 N\n0.989539 0.097721 0.331042 F\n0.910583 0.750000 0.860731 F\n0.010461 0.597721 0.668959 F\n0.297444 0.750000 0.841447 F\n0.702556 0.250000 0.158554 F\n0.089418 0.250000 0.139270 F\n0.989539 0.402278 0.331042 F\n0.010461 0.902278 0.668959 F\n",
"nsites": 44,
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"elements": [
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],
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"density_atomic": 0.11013862083748482,
"volume": 399.4965586587856,
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"formula_full": "B2 H22 C8 Br2 N2 F8",
"formula_reduced": "BH11C4BrNF4",
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},
{
"id": "jvasp-103920",
"created_at": "2022-09-04T14:36:42.272869Z",
"updated_at": "2022-09-04T14:36:42.272902Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.087389 0.105366 0.267174\n1.717864 4.080267 0.230123\n0.312191 -0.297183 11.300476\nZn H C O\n1 10 7 4\ndirect\n0.954397 0.035467 0.197310 Zn\n0.248531 0.801334 0.583089 H\n0.188051 0.782163 0.812992 H\n0.882310 0.598125 0.811206 H\n0.349884 0.123143 0.689771 H\n0.657198 0.304009 0.693826 H\n0.625455 0.265345 0.911711 H\n0.316418 0.088179 0.914183 H\n0.741343 0.277437 0.479377 H\n0.404585 0.146977 0.456513 H\n0.943863 0.618682 0.575316 H\n0.379757 0.563019 0.354094 C\n0.452363 0.370548 0.469223 C\n0.230849 0.560579 0.579991 C\n0.367551 0.364337 0.692865 C\n0.171364 0.541524 0.808853 C\n0.334127 0.328607 0.915614 C\n0.187331 0.471550 0.038670 C\n0.019145 0.786148 0.049540 O\n0.606826 0.477828 0.264053 O\n0.081196 0.819488 0.351970 O\n0.256180 0.268489 0.125207 O\n",
"nsites": 22,
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],
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"density_atomic": 0.11813337202476819,
"volume": 186.23018731224752,
"volume_molar": 5.097747280706912,
"formula_full": "Zn1 H10 C7 O4",
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"spacegroup": 1
},
{
"id": "jvasp-50278",
"created_at": "2022-09-04T14:37:05.099085Z",
"updated_at": "2022-09-04T14:37:05.099103Z",
"structure_string": "Na4 Be4 O6\n1.0\n0.000000 4.974246 0.011575\n6.843437 0.000000 0.000000\n0.000000 -1.861569 -5.486768\nNa Be O\n4 4 6\ndirect\n0.251418 0.367178 0.888765 Na\n0.748583 0.867179 0.611235 Na\n0.251418 0.132822 0.388764 Na\n0.748583 0.632822 0.111235 Na\n0.298672 0.521580 0.490993 Be\n0.298672 0.978420 0.990994 Be\n0.701328 0.021580 0.009006 Be\n0.701328 0.478420 0.509006 Be\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.419402 0.054864 0.787409 O\n0.580599 0.554865 0.712591 O\n0.419402 0.445136 0.287409 O\n0.580599 0.945136 0.212590 O\n",
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{
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"created_at": "2022-09-04T14:37:07.651867Z",
"updated_at": "2022-09-04T14:37:07.651892Z",
"structure_string": "K1 N1 O2\n1.0\n-4.409933 -0.220390 -0.070079\n-0.402459 -4.398202 -0.073411\n1.125710 1.078095 3.707755\nK N O\n1 1 2\ndirect\n0.008997 0.009050 0.042454 K\n0.489947 0.489879 0.447545 N\n0.399093 0.769919 0.601859 O\n0.769962 0.399154 0.602144 O\n",
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},
{
"id": "jvasp-112119",
"created_at": "2022-09-04T14:38:44.540783Z",
"updated_at": "2022-09-04T14:38:44.540806Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.006098 0.071004 0.098143\n0.895957 4.091261 -0.005047\n-0.291601 -0.036606 17.388322\nCd H C O\n1 20 12 4\ndirect\n0.183181 0.060792 0.854035 Cd\n0.622433 0.744684 0.515515 H\n0.728414 0.213586 0.589137 H\n0.560580 0.408328 0.049519 H\n0.178208 0.292066 0.164575 H\n0.743561 0.377127 0.192569 H\n0.364816 0.268153 0.303886 H\n0.932942 0.345698 0.333800 H\n0.552763 0.238959 0.444890 H\n0.120375 0.316794 0.474518 H\n0.006040 0.294617 0.027521 H\n0.290870 0.300024 0.616044 H\n0.075357 0.821736 0.092080 H\n0.637767 0.908204 0.118944 H\n0.245630 0.804960 0.233601 H\n0.813225 0.882786 0.263217 H\n0.433015 0.776051 0.374308 H\n0.001145 0.853581 0.404225 H\n0.805679 0.713488 0.658538 H\n0.360263 0.827159 0.680579 H\n0.187827 0.829674 0.543539 H\n0.723838 0.701828 0.964507 C\n0.788829 0.504077 0.037622 C\n0.862812 0.706751 0.106809 C\n0.955281 0.494553 0.178251 C\n0.037634 0.683563 0.248461 C\n0.140706 0.467338 0.318893 C\n0.503376 0.415028 0.601289 C\n0.328361 0.438186 0.459649 C\n0.410765 0.627216 0.529849 C\n0.577473 0.617718 0.670462 C\n0.642621 0.419963 0.743573 C\n0.225261 0.654400 0.389217 C\n0.465075 0.947380 0.963682 O\n0.437375 0.498239 0.800800 O\n0.901434 0.174456 0.744378 O\n0.929184 0.623499 0.907296 O\n",
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"elements": [
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],
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"formula_full": "Cd1 H20 C12 O4",
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{
"id": "jvasp-97666",
"created_at": "2022-09-04T14:35:59.541434Z",
"updated_at": "2022-09-04T14:35:59.541465Z",
"structure_string": "Mg2 P4 H24 O22\n1.0\n7.331107 -0.010252 -2.341945\n3.486888 8.467901 -0.703564\n-0.140597 0.161529 7.416320\nMg P H O\n2 4 24 22\ndirect\n0.781035 0.707396 0.645163 Mg\n0.218965 0.292604 0.354837 Mg\n0.903408 0.317009 0.601533 P\n0.096592 0.682992 0.398467 P\n0.575257 0.072224 0.755889 P\n0.424744 0.927776 0.244111 P\n0.200210 0.557095 0.822795 H\n0.799790 0.442905 0.177205 H\n0.521376 0.389091 0.863110 H\n0.478624 0.610909 0.136890 H\n0.896468 0.059723 0.265112 H\n0.103533 0.940277 0.734888 H\n0.919003 0.399067 0.030109 H\n0.027814 0.953256 0.784398 H\n0.972186 0.046744 0.215602 H\n0.386563 0.483784 0.662257 H\n0.080997 0.600933 0.969891 H\n0.613437 0.516216 0.337743 H\n0.568792 0.774375 0.883804 H\n0.431209 0.225625 0.116196 H\n0.072827 0.193106 0.894776 H\n0.671200 0.208701 0.526689 H\n0.328800 0.791299 0.473311 H\n0.265096 0.120445 0.686828 H\n-0.072827 0.806894 0.105225 H\n0.745966 0.128778 0.037982 H\n0.254034 0.871222 -0.037982 H\n0.574229 0.606448 0.818904 H\n0.425771 0.393552 0.181096 H\n0.734904 0.879555 0.313172 H\n0.935287 0.405065 0.166742 O\n0.500054 0.823856 0.427287 O\n0.064713 0.594935 0.833258 O\n0.353041 0.320944 0.164482 O\n0.646960 0.679056 0.835518 O\n0.369973 0.817156 0.073827 O\n0.630028 0.182844 0.926173 O\n0.605766 0.958407 0.220324 O\n0.394234 0.041593 0.779676 O\n0.499946 0.176144 0.572713 O\n0.952823 0.283519 0.826810 O\n0.753407 0.918983 0.786533 O\n0.212173 0.788072 0.506815 O\n0.787827 0.211928 0.493185 O\n0.047177 0.716481 0.173190 O\n0.903617 0.740614 0.445452 O\n0.096384 0.259386 0.554548 O\n0.226913 0.509387 0.441679 O\n0.773088 0.490613 0.558321 O\n0.441455 0.496472 0.801370 O\n0.246593 0.081017 0.213467 O\n0.558546 0.503529 0.198630 O\n",
"nsites": 52,
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],
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"density_atomic": 0.1136889485229435,
"volume": 457.38834491468543,
"volume_molar": 5.29703268280705,
"formula_full": "Mg2 P4 H24 O22",
"formula_reduced": "MgP2H12O11",
"formula_anonymous": "AB2C11D12",
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"spacegroup": 2
},
{
"id": "jvasp-113680",
"created_at": "2022-09-04T14:38:48.286174Z",
"updated_at": "2022-09-04T14:38:48.286200Z",
"structure_string": "Rb1 Al1 O1\n1.0\n7.524084 1.036977 0.000000\n1.616703 3.831676 0.000000\n0.000000 0.000000 3.943947\nRb Al O\n1 1 1\ndirect\n-0.108313 -0.003202 0.000000 Rb\n0.391167 0.003168 0.000000 Al\n0.136310 0.268293 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
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"spacegroup": 6
}
]
}