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{
"id": "jvasp-63134",
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"structure_string": "Li6 Cu1 B4 O10\n1.0\n4.715464 -0.092307 -0.013840\n1.540149 6.074883 -0.029432\n2.313896 0.573689 6.818345\nLi Cu B O\n6 1 4 10\ndirect\n0.452662 0.633175 0.282560 Li\n0.523278 0.146445 0.219648 Li\n0.868789 0.373272 0.439925 Li\n0.946829 0.837427 0.341906 Li\n0.742165 0.834376 0.001629 Li\n0.893249 0.971187 0.629099 Li\n0.751318 0.327446 0.842012 Cu\n0.388739 0.114680 0.615067 B\n0.220990 0.016660 0.988528 B\n0.131504 0.538748 0.060099 B\n0.280613 0.610435 0.679523 B\n0.442578 0.026972 0.800370 O\n0.100543 0.208687 0.608790 O\n0.915874 0.087788 0.010470 O\n0.406428 0.423418 0.077821 O\n0.571623 0.500549 0.652054 O\n0.078217 0.619572 0.876154 O\n0.887611 0.598055 0.218173 O\n0.168868 0.717090 0.532949 O\n0.328414 0.922512 0.141441 O\n0.639907 0.090098 0.456290 O\n",
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{
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"structure_string": "Li3 Sb1 S4\n1.0\n0.000000 5.626021 -0.000000\n5.626021 -0.000000 -0.000000\n2.813010 2.813010 -5.452175\nLi Sb S\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.629506 0.116103 0.254392 S\n0.116103 0.629506 0.254392 S\n0.370494 0.370494 0.745609 S\n0.883896 0.883896 0.745609 S\n",
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"formula_full": "Li3 Sb1 S4",
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{
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"created_at": "2022-09-04T14:38:50.568215Z",
"updated_at": "2022-09-04T14:38:50.568233Z",
"structure_string": "Ca1 Sn1 N1\n1.0\n3.911293 0.000000 -0.000000\n-0.000000 3.911293 0.000000\n-0.000000 -0.000000 7.195088\nCa Sn N\n1 1 1\ndirect\n0.000000 0.000000 0.280342 Ca\n0.000000 0.000000 0.728025 Sn\n0.000000 0.000000 -0.008034 N\n",
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{
"id": "jvasp-103619",
"created_at": "2022-09-04T14:37:07.816416Z",
"updated_at": "2022-09-04T14:37:07.816444Z",
"structure_string": "Na3 Cd1\n1.0\n4.338953 -0.422697 -3.712188\n-1.194268 4.192721 -3.712188\n0.352583 0.422697 5.699345\nNa Cd\n3 1\ndirect\n0.749999 0.250000 0.499999 Na\n0.249999 0.750000 0.500000 Na\n0.499999 0.500000 -0.000001 Na\n0.000000 0.000000 0.000000 Cd\n",
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{
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"created_at": "2022-09-04T14:37:49.721201Z",
"updated_at": "2022-09-04T14:37:49.721222Z",
"structure_string": "Na2 Ca2 C3 O9\n1.0\n4.981905 0.000000 0.000000\n0.000000 5.970168 -2.735072\n0.000000 -0.023104 6.566808\nNa Ca C O\n2 2 3 9\ndirect\n0.000000 0.925701 0.925701 Na\n0.500000 0.615482 0.615482 Na\n0.500000 0.212095 0.780186 Ca\n0.500000 0.780186 0.212094 Ca\n0.000000 0.876630 0.464228 C\n0.000000 0.464229 0.876630 C\n0.500000 0.224895 0.224895 C\n0.500000 0.414422 0.210230 O\n0.500000 0.210230 0.414422 O\n0.000000 0.885012 0.271780 O\n0.500000 0.038409 0.038409 O\n0.000000 0.271780 0.885012 O\n0.226495 0.869460 0.559061 O\n0.773506 0.559061 0.869460 O\n0.773506 0.869460 0.559061 O\n0.226495 0.559061 0.869460 O\n",
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{
"id": "jvasp-114893",
"created_at": "2022-09-04T14:38:43.587463Z",
"updated_at": "2022-09-04T14:38:43.587488Z",
"structure_string": "Al1 B1 O1\n1.0\n3.793397 0.000000 0.000000\n-1.896698 3.285178 -0.000000\n0.000000 -0.000000 2.749043\nAl B O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333334 0.666668 0.000000 B\n0.666667 0.333334 0.000000 O\n",
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},
{
"id": "jvasp-57254",
"created_at": "2022-09-04T14:37:16.354488Z",
"updated_at": "2022-09-04T14:37:16.354514Z",
"structure_string": "K4 S4 O14\n1.0\n7.121294 -0.025292 0.372687\n3.432304 6.239612 0.372687\n0.086854 0.051143 7.280535\nK S O\n4 4 14\ndirect\n0.206783 0.502174 0.859310 K\n0.502174 0.206784 0.359310 K\n0.497825 0.793215 0.640690 K\n0.793215 0.497826 0.140691 K\n0.075388 0.716738 0.364553 S\n0.283261 0.924612 0.135448 S\n0.924611 0.283261 0.635447 S\n0.716738 0.075388 0.864552 S\n0.071783 0.928216 0.250000 O\n0.137816 0.553282 0.229169 O\n0.446717 0.862183 0.270832 O\n0.346556 0.767844 0.993872 O\n0.767844 0.346557 0.493872 O\n0.928216 0.071783 0.750000 O\n0.862182 0.446717 0.770831 O\n0.806379 0.855073 0.930950 O\n0.553282 0.137817 0.729169 O\n0.232155 0.653443 0.506128 O\n0.855072 0.806380 0.430950 O\n0.193620 0.144927 0.069050 O\n0.653442 0.232156 0.006128 O\n0.144926 0.193620 0.569050 O\n",
"nsites": 22,
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{
"id": "jvasp-118117",
"created_at": "2022-09-04T14:38:50.613044Z",
"updated_at": "2022-09-04T14:38:50.613060Z",
"structure_string": "P1 S1 Cl1\n1.0\n2.701693 -0.000000 0.000000\n-0.000000 2.701693 -0.000000\n0.000000 -0.000000 8.590274\nP S Cl\n1 1 1\ndirect\n0.000000 0.000000 0.370356 P\n0.000000 0.000000 0.610936 S\n0.000000 0.000000 -0.000078 Cl\n",
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],
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{
"id": "jvasp-40676",
"created_at": "2022-09-04T14:37:57.947574Z",
"updated_at": "2022-09-04T14:37:57.947600Z",
"structure_string": "Li14 V2 O8 F4\n1.0\n-5.359812 0.114622 0.729844\n2.501480 4.953236 -1.592774\n1.349536 -0.165833 -9.710562\nLi V O F\n14 2 8 4\ndirect\n0.230770 0.069296 0.799890 Li\n0.015824 0.108658 0.252355 Li\n0.468493 0.581403 0.737133 Li\n0.485470 0.985185 0.380952 Li\n0.002196 0.522893 0.118239 Li\n0.957927 0.205948 0.452696 Li\n0.441671 0.681873 0.952996 Li\n0.484149 0.823885 0.183784 Li\n0.516227 0.293813 0.046928 Li\n0.034463 0.761244 0.557772 Li\n0.972360 0.467876 0.864327 Li\n0.561790 0.056972 0.617258 Li\n0.482884 0.382725 0.248997 Li\n0.966614 0.649076 0.321277 Li\n0.002539 -0.025189 0.010298 V\n0.495668 0.525366 0.474200 V\n0.775359 0.864786 0.381554 O\n0.210595 0.456211 0.302710 O\n0.339903 0.709743 0.540280 O\n0.246604 0.328609 0.886765 O\n0.162556 0.774097 0.959047 O\n0.678117 0.320004 0.444233 O\n0.278456 0.042693 0.190786 O\n0.718107 0.641547 0.115147 O\n0.807832 0.197977 0.056538 F\n0.229340 0.122557 0.605694 F\n0.762269 0.536481 0.686515 F\n0.671808 0.914289 0.811621 F\n",
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{
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"created_at": "2022-09-04T14:36:03.596269Z",
"updated_at": "2022-09-04T14:36:03.596293Z",
"structure_string": "Zn2 H8 N4 O16\n1.0\n5.600472 0.000000 -0.018244\n0.000000 5.988716 0.000000\n0.128025 0.000000 8.555735\nZn H N O\n2 8 4 16\ndirect\n0.500000 0.500000 0.000000 Zn\n0.499999 0.000000 0.500001 Zn\n0.696932 0.165553 0.891483 H\n0.303066 0.665553 0.608518 H\n0.303067 0.834448 0.108518 H\n0.696932 0.334448 0.391483 H\n0.911829 0.277688 0.980866 H\n0.088169 0.777688 0.519135 H\n0.088170 0.722313 0.019135 H\n0.911830 0.222313 0.480866 H\n0.243479 0.354580 0.303728 N\n0.756520 0.854581 0.196273 N\n0.243478 0.145420 0.803728 N\n0.756520 0.645420 0.696273 N\n0.229867 0.260705 0.931125 O\n0.261898 0.745500 0.511384 O\n0.738100 0.245499 0.988617 O\n0.229867 0.239295 0.431125 O\n0.770132 0.739295 0.068876 O\n0.770131 0.760706 0.568876 O\n0.451324 0.390976 0.244951 O\n0.060278 0.073794 0.742546 O\n0.548675 0.609025 0.755050 O\n0.451323 0.109025 0.744951 O\n0.060278 0.426207 0.242546 O\n0.939721 0.926207 0.257455 O\n0.939721 0.573794 0.757455 O\n0.261899 0.754501 0.011384 O\n0.548676 0.890976 0.255050 O\n0.738101 0.254501 0.488617 O\n",
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},
{
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"created_at": "2022-09-04T14:36:52.634571Z",
"updated_at": "2022-09-04T14:36:52.634582Z",
"structure_string": "K1 Rb2 Al1 Cl6\n1.0\n6.406107 -0.000000 3.698568\n2.135369 6.039735 3.698568\n-0.000000 -0.000000 7.397135\nK Rb Al Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.777061 0.222939 0.222939 Cl\n0.222939 0.222939 0.777062 Cl\n0.222939 0.777062 0.777062 Cl\n0.222939 0.777062 0.222939 Cl\n0.777061 0.222939 0.777062 Cl\n0.777061 0.777062 0.222939 Cl\n",
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],
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"formula_full": "K1 Rb2 Al1 Cl6",
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{
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"created_at": "2022-09-04T14:35:45.110192Z",
"updated_at": "2022-09-04T14:35:45.110217Z",
"structure_string": "Np2 H32 C8 N16 Cl2 O12\n1.0\n5.017111 6.048917 -0.902909\n-5.017111 6.048917 0.902909\n-0.256975 0.000000 11.466099\nNp H C N Cl O\n2 32 8 16 2 12\ndirect\n0.781908 0.781908 0.250000 Np\n0.218092 0.218093 0.750000 Np\n0.590337 0.077498 0.441199 H\n0.710095 0.434612 0.864044 H\n0.434611 0.710095 0.635956 H\n0.289905 0.565389 0.135956 H\n0.565389 0.289906 0.364044 H\n0.530704 0.774678 0.007106 H\n0.774678 0.530704 0.492894 H\n0.469296 0.225323 0.992894 H\n0.225322 0.469297 0.507106 H\n0.498084 0.655992 0.888507 H\n0.655991 0.498085 0.611493 H\n0.501916 0.344009 0.111493 H\n0.344009 0.501916 0.388507 H\n0.077498 0.590337 0.058801 H\n0.409664 0.922503 0.558801 H\n0.922502 0.409664 0.941199 H\n0.637522 0.115858 0.690788 H\n0.824164 0.171741 0.150581 H\n0.828259 0.175836 0.650581 H\n0.175836 0.828260 0.849419 H\n0.362478 0.884143 0.309212 H\n0.884143 0.362478 0.190788 H\n0.007367 0.635731 0.606286 H\n0.171741 0.824165 0.349419 H\n0.115857 0.637523 0.809212 H\n0.021587 0.167541 0.495223 H\n0.832459 0.978413 0.995223 H\n0.978413 0.832460 0.504777 H\n0.364269 0.992634 0.106286 H\n0.992633 0.364270 0.393714 H\n0.635731 0.007367 0.893714 H\n0.167541 0.021587 0.004777 H\n0.263646 0.414201 0.004951 C\n0.585799 0.736355 0.504951 C\n0.414201 0.263646 0.495049 C\n0.736354 0.585800 0.995049 C\n0.914204 0.153812 0.327295 C\n0.846188 0.085797 0.827295 C\n0.153812 0.914204 0.172705 C\n0.085796 0.846188 0.672705 C\n0.320344 0.424330 0.460526 N\n0.424330 0.320344 0.039474 N\n0.575670 0.679656 0.960526 N\n0.543357 0.208098 0.434950 N\n0.208098 0.543357 0.065050 N\n0.456643 0.791903 0.565050 N\n0.791902 0.456644 0.934950 N\n0.679656 0.575671 0.539474 N\n0.762355 0.022440 0.912238 N\n0.977561 0.237645 0.412238 N\n0.237645 0.977561 0.087762 N\n0.123885 0.764794 0.786187 N\n0.764793 0.123885 0.713813 N\n0.876115 0.235207 0.213813 N\n0.235207 0.876116 0.286187 N\n0.022439 0.762356 0.587762 N\n0.547337 0.547337 0.250000 Cl\n0.452663 0.452664 0.750000 Cl\n0.614469 0.835955 0.414920 O\n0.835955 0.614469 0.085080 O\n0.109584 0.001813 0.644954 O\n0.001812 0.109584 0.855046 O\n0.890416 0.998188 0.355046 O\n0.949243 0.615406 0.353170 O\n0.384594 0.050758 0.853170 O\n0.050757 0.384595 0.646830 O\n0.615406 0.949243 0.146830 O\n0.164045 0.385532 0.914920 O\n0.998188 0.890417 0.144954 O\n0.385531 0.164046 0.585080 O\n",
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}