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{
"id": "jvasp-117474",
"created_at": "2022-09-04T14:38:50.070356Z",
"updated_at": "2022-09-04T14:38:50.070376Z",
"structure_string": "B2 H1\n1.0\n3.910231 0.837126 -0.302289\n-3.809547 -4.165696 0.657711\n-0.669166 0.755235 -1.441237\nB H\n2 1\ndirect\n0.584426 0.327491 0.182213 B\n0.416714 0.938062 0.403653 B\n0.000620 0.132801 0.792966 H\n",
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{
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"structure_string": "Sr1 Li1 P1\n1.0\n4.479938 1.550422 0.000000\n2.348314 7.003021 0.000000\n0.000000 0.000000 3.657208\nSr Li P\n1 1 1\ndirect\n-0.076535 0.424051 0.000000 Sr\n-0.075666 -0.076085 0.000000 Li\n0.424229 -0.075938 0.000000 P\n",
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{
"id": "jvasp-99583",
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"structure_string": "K4 Na1 Cl5\n1.0\n6.624908 0.003033 3.555505\n5.212583 4.088812 3.555505\n0.002825 0.000976 10.646271\nK Na Cl\n4 1 5\ndirect\n0.604078 0.604078 0.599451 K\n0.196501 0.196501 0.192983 K\n0.803499 0.803499 0.807017 K\n0.395922 0.395922 0.400549 K\n0.000000 0.000000 0.000000 Na\n-0.000001 0.000000 0.500000 Cl\n0.589216 0.589215 0.091696 Cl\n0.194971 0.194972 0.715215 Cl\n0.805028 0.805027 0.284784 Cl\n0.410783 0.410784 0.908303 Cl\n",
"nsites": 10,
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"formula_full": "K4 Na1 Cl5",
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{
"id": "jvasp-64767",
"created_at": "2022-09-04T14:36:11.468692Z",
"updated_at": "2022-09-04T14:36:11.468717Z",
"structure_string": "Ba1 Na1 Mg1\n1.0\n0.000000 4.209456 4.209456\n4.209456 0.000000 4.209456\n4.209456 4.209456 0.000000\nBa Na Mg\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 3,
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{
"id": "jvasp-7761",
"created_at": "2022-09-04T14:37:03.646899Z",
"updated_at": "2022-09-04T14:37:03.646925Z",
"structure_string": "Mg1 S1\n1.0\n3.471656 0.000000 2.004362\n1.157218 3.273109 2.004362\n-0.000000 -0.000000 4.008722\nMg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.249999 S\n",
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{
"id": "jvasp-120206",
"created_at": "2022-09-04T14:38:53.289640Z",
"updated_at": "2022-09-04T14:38:53.289663Z",
"structure_string": "Sr1 Ge1 P1\n1.0\n4.375900 0.000000 -0.000000\n-0.000000 4.375900 0.000000\n0.000000 -0.000000 8.071859\nSr Ge P\n1 1 1\ndirect\n0.000000 0.000000 0.657695 Sr\n0.000000 0.000000 0.268090 Ge\n0.000000 0.000000 0.011533 P\n",
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"volume": 154.56399859970577,
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{
"id": "jvasp-91459",
"created_at": "2022-09-04T14:36:31.088393Z",
"updated_at": "2022-09-04T14:36:31.088414Z",
"structure_string": "K2 Ca1 N4 O8\n1.0\n5.322777 -0.465990 0.116324\n2.256520 4.843265 0.116324\n-0.011054 -0.006384 9.106635\nK Ca N O\n2 1 4 8\ndirect\n0.655518 0.655517 0.367722 K\n0.344483 0.344483 0.632277 K\n0.000000 0.000000 0.000000 Ca\n0.558069 0.558068 0.044403 N\n0.301292 0.301291 0.282284 N\n0.698710 0.698709 0.717715 N\n0.441933 0.441932 0.955596 N\n0.427140 0.797899 0.089749 O\n0.797900 0.427139 0.089749 O\n0.572862 0.202101 0.910250 O\n0.532411 0.182851 0.334703 O\n0.817150 0.467589 0.665295 O\n0.182851 0.532411 0.334703 O\n0.202101 0.572861 0.910250 O\n0.467590 0.817149 0.665295 O\n",
"nsites": 15,
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"chemical_system": "Ca-K-N-O",
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"volume": 244.35045975039006,
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{
"id": "jvasp-112198",
"created_at": "2022-09-04T14:38:45.860663Z",
"updated_at": "2022-09-04T14:38:45.860694Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.000849 0.118352 0.445355\n0.911535 4.274517 -0.023115\n0.243435 0.034808 15.564686\nCd H C O\n1 18 11 4\ndirect\n0.967331 0.794038 0.839226 Cd\n0.637453 0.732389 0.532572 H\n0.124215 0.314552 0.565842 H\n0.049879 0.147475 0.103140 H\n0.160723 0.128744 0.300470 H\n0.757455 0.180142 0.262611 H\n0.844988 0.192474 0.460276 H\n0.449897 0.240501 0.418685 H\n0.255250 0.787832 0.485001 H\n0.460328 0.098550 0.137621 H\n0.524022 0.604388 0.067423 H\n0.111898 0.663618 0.035743 H\n0.255240 0.612888 0.222672 H\n0.849705 0.667831 0.186446 H\n0.961276 0.659658 0.377616 H\n0.561758 0.713998 0.338217 H\n0.712022 0.083187 0.614683 H\n0.664635 0.436709 0.675015 H\n0.093255 0.656221 0.629214 H\n0.499255 0.311384 0.963019 C\n0.335274 0.478739 0.048634 C\n0.233003 0.276690 0.122972 C\n0.069279 0.484577 0.203592 C\n0.943034 0.309188 0.281383 C\n0.276909 0.466094 0.589776 C\n0.633658 0.370860 0.437846 C\n0.453173 0.607021 0.511576 C\n0.522163 0.280569 0.649192 C\n0.345354 0.153301 0.727706 C\n0.774677 0.531769 0.358807 C\n0.710534 0.040960 0.964428 O\n0.054110 0.306106 0.765368 O\n0.485669 0.881421 0.755013 O\n0.436755 0.451508 0.893120 O\n",
"nsites": 34,
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"formula_full": "Cd1 H18 C11 O4",
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{
"id": "jvasp-101877",
"created_at": "2022-09-04T14:36:46.717235Z",
"updated_at": "2022-09-04T14:36:46.717243Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n5.157872 0.017882 0.081255\n-0.744614 6.207067 -0.378830\n0.106525 0.295824 7.022876\nSn H C O\n1 12 7 4\ndirect\n-0.002488 0.667457 0.638762 Sn\n0.996057 0.273634 0.483713 H\n0.143884 0.469705 0.318458 H\n0.080028 0.892031 0.963178 H\n0.767248 0.920780 0.868400 H\n0.055710 0.076451 0.772165 H\n0.327234 0.390856 0.517517 H\n0.347555 0.327153 0.029327 H\n0.623238 0.280836 0.297879 H\n0.835498 0.136507 0.157981 H\n0.488653 0.827522 0.124128 H\n0.263887 0.968309 0.261930 H\n0.465291 0.117066 0.899688 H\n0.471326 0.948216 0.238995 C\n0.630104 0.161887 0.181141 C\n0.525339 0.248838 0.000888 C\n0.717193 0.400653 0.888611 C\n0.136046 0.417814 0.466784 C\n0.975962 0.924537 0.835985 C\n0.571434 0.863438 0.419735 C\n0.435629 0.859684 0.571928 O\n0.629928 0.480670 0.737268 O\n0.954292 0.445538 0.930743 O\n0.803346 0.801312 0.405653 O\n",
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{
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"created_at": "2022-09-04T14:38:45.018674Z",
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"structure_string": "Be2 B1 H3 O5\n1.0\n4.438238 -0.002348 0.058709\n-2.219286 3.859425 -0.180725\n0.022628 0.015050 5.280912\nBe B H O\n2 1 3 5\ndirect\n0.326825 0.657434 0.393325 Be\n0.665365 0.334951 0.599649 Be\n0.995601 0.995044 0.501420 B\n0.542849 0.466207 0.992227 H\n0.927199 0.469895 0.989694 H\n0.434309 0.869235 0.016131 H\n0.678586 0.353872 0.914628 O\n0.305591 -0.004365 0.506901 O\n0.686510 0.685653 0.498995 O\n-0.004651 0.303487 0.498774 O\n0.313413 0.637179 0.087439 O\n",
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{
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"created_at": "2022-09-04T14:36:52.401255Z",
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"structure_string": "Na3 Sc1 Cl6\n1.0\n6.236961 -0.000000 3.600911\n2.078987 5.880263 3.600911\n-0.000000 -0.000000 7.201822\nNa Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.757971 0.242028 0.242028 Cl\n0.242029 0.242028 0.757971 Cl\n0.242029 0.757971 0.757971 Cl\n0.242029 0.757971 0.242028 Cl\n0.757971 0.242028 0.757971 Cl\n0.757972 0.757971 0.242028 Cl\n",
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{
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"created_at": "2022-09-04T14:37:01.040861Z",
"updated_at": "2022-09-04T14:37:01.040881Z",
"structure_string": "Na6 B2 S6\n1.0\n6.057545 0.000000 2.633695\n2.418570 5.642105 2.720322\n-0.019179 0.028096 8.327188\nNa B S\n6 2 6\ndirect\n0.190065 0.193176 0.003795 Na\n0.612964 0.693177 0.503795 Na\n0.500000 0.500000 -0.000001 Na\n-0.000000 0.000000 0.500000 Na\n0.809935 0.806826 0.996204 Na\n0.387036 0.306825 0.496204 Na\n0.922989 0.250001 0.749999 B\n0.077011 0.750001 0.250000 B\n0.803538 0.023566 0.249142 S\n0.076245 0.476435 0.250857 S\n0.196462 0.976435 0.750857 S\n0.923755 0.523567 0.749142 S\n0.358895 0.750001 0.249999 S\n0.641105 0.250001 0.750000 S\n",
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}