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"results": [
{
"id": "jvasp-14109",
"created_at": "2022-09-04T14:38:17.643334Z",
"updated_at": "2022-09-04T14:38:17.643362Z",
"structure_string": "P4 Cl20\n1.0\n8.982714 0.000000 -0.000000\n-0.000000 8.982714 0.000000\n-0.000000 0.000000 7.634685\nP Cl\n4 20\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.500000 -0.000000 0.613829 P\n0.000000 0.500000 0.386170 P\n0.921039 0.728217 0.391393 Cl\n0.771783 0.421039 0.391393 Cl\n0.271783 0.921039 0.608606 Cl\n0.421039 0.228217 0.608606 Cl\n0.578960 0.771783 0.608606 Cl\n0.728217 0.078960 0.608606 Cl\n0.000000 0.500000 0.678327 Cl\n0.500000 -0.000000 0.321672 Cl\n0.000000 0.500000 0.103678 Cl\n0.328457 0.551122 0.852419 Cl\n0.078960 0.271783 0.391393 Cl\n0.051122 0.171542 0.852419 Cl\n0.948878 0.828457 0.852419 Cl\n0.671542 0.448878 0.852419 Cl\n0.171542 0.948878 0.147580 Cl\n0.448878 0.328457 0.147580 Cl\n0.551122 0.671542 0.147580 Cl\n0.828457 0.051122 0.147580 Cl\n0.500000 -0.000000 0.896321 Cl\n0.228217 0.578960 0.391393 Cl\n",
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{
"id": "jvasp-43432",
"created_at": "2022-09-04T14:35:52.426834Z",
"updated_at": "2022-09-04T14:35:52.426857Z",
"structure_string": "K16 O8\n1.0\n9.262172 0.000000 0.000000\n0.000000 9.262172 -0.000000\n0.000000 -0.000000 6.496996\nK O\n16 8\ndirect\n0.750014 0.750014 0.500000 K\n0.749986 0.749986 0.000000 K\n0.250014 0.749986 0.000000 K\n0.000000 0.500000 0.500233 K\n0.000000 0.500000 0.000233 K\n0.500000 0.500000 0.250047 K\n0.749986 0.250014 0.000000 K\n0.250014 0.250014 0.000000 K\n0.500000 0.500000 0.749953 K\n0.750014 0.249986 0.500000 K\n0.000000 0.000000 0.750048 K\n0.500000 0.000000 0.499767 K\n0.000000 0.000000 0.249953 K\n0.500000 0.000000 -0.000233 K\n0.249986 0.750014 0.500000 K\n0.249986 0.249986 0.500000 K\n0.232387 0.500000 0.250179 O\n0.500000 0.767613 0.749821 O\n0.267613 0.000000 0.249821 O\n0.732386 0.000000 0.249821 O\n0.500000 0.232387 0.749821 O\n0.000000 0.267613 0.750179 O\n0.767613 0.500000 0.250179 O\n0.000000 0.732386 0.750179 O\n",
"nsites": 24,
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"volume": 557.3631893825026,
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"formula_full": "K16 O8",
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"spacegroup": 132
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{
"id": "jvasp-46047",
"created_at": "2022-09-04T14:38:10.965304Z",
"updated_at": "2022-09-04T14:38:10.965329Z",
"structure_string": "Li8 B4 O10\n1.0\n4.883961 0.043999 -0.033915\n1.875201 6.656542 -0.106514\n2.383953 2.839550 5.845890\nLi B O\n8 4 10\ndirect\n0.976204 0.425695 0.204204 Li\n0.511292 0.686341 0.974895 Li\n0.793659 0.329342 0.663020 Li\n0.015360 0.031184 0.306696 Li\n0.984639 0.968816 0.693304 Li\n0.206341 0.670657 0.336980 Li\n0.488708 0.313659 0.025105 Li\n0.023795 0.574305 0.795795 Li\n0.883794 0.860942 0.083273 B\n0.453083 0.275153 0.467332 B\n0.116206 0.139058 0.916727 B\n0.546916 0.724847 0.532668 B\n0.212204 0.228698 0.660160 O\n0.741087 0.201547 0.483832 O\n0.787796 0.771302 0.339840 O\n0.133949 0.277029 0.006952 O\n0.625221 0.586499 0.734613 O\n0.791316 0.102608 0.962623 O\n0.208684 0.897392 0.037376 O\n0.374778 0.413500 0.265386 O\n0.866051 0.722971 0.993048 O\n0.258912 0.798453 0.516168 O\n",
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{
"id": "jvasp-90378",
"created_at": "2022-09-04T14:36:20.270762Z",
"updated_at": "2022-09-04T14:36:20.270787Z",
"structure_string": "Li2 Mn1 F6\n1.0\n5.685805 -0.000000 0.000000\n-2.842902 4.924114 -0.000340\n0.000000 -0.000304 4.829578\nLi Mn F\n2 1 6\ndirect\n0.333334 0.666651 0.247792 Li\n0.666683 0.333349 0.752209 Li\n0.000010 -0.000000 -0.000000 Mn\n0.151673 0.848295 0.217445 F\n0.151681 0.303327 0.217571 F\n0.303380 0.151706 0.782555 F\n0.696643 0.848298 0.217446 F\n0.848355 0.696674 0.782430 F\n0.848345 0.151703 0.782555 F\n",
"nsites": 9,
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"formula_full": "Li2 Mn1 F6",
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{
"id": "jvasp-35159",
"created_at": "2022-09-04T14:38:15.820294Z",
"updated_at": "2022-09-04T14:38:15.820323Z",
"structure_string": "K1 Na2 B1 N2\n1.0\n4.207359 0.000000 -0.000000\n0.000000 4.207359 0.000000\n-2.103680 -2.103680 5.177197\nK Na B N\n1 2 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 B\n0.869755 0.869755 0.739510 N\n0.130245 0.130245 0.260490 N\n",
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"volume": 91.64606698936065,
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"formula_full": "K1 Na2 B1 N2",
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},
{
"id": "jvasp-57138",
"created_at": "2022-09-04T14:38:34.713998Z",
"updated_at": "2022-09-04T14:38:34.714023Z",
"structure_string": "Si8 O16\n1.0\n6.606101 0.000000 0.000000\n0.000000 6.606101 0.000000\n0.000000 -0.000000 8.147309\nSi O\n8 16\ndirect\n0.239825 0.463282 0.402674 Si\n0.239825 0.536718 0.902674 Si\n0.463282 0.760175 0.597327 Si\n0.536718 0.239825 0.597327 Si\n0.536718 0.760175 0.097327 Si\n0.760175 0.463282 0.902674 Si\n0.463282 0.239825 0.097327 Si\n0.760175 0.536718 0.402674 Si\n0.333695 0.692749 0.432195 O\n0.000000 0.500000 0.381908 O\n0.500000 0.000000 0.118092 O\n0.670054 0.329946 0.750000 O\n0.329946 0.329946 0.250000 O\n0.333695 0.307250 0.932195 O\n0.307250 0.333695 0.567805 O\n0.000000 0.500000 0.881908 O\n0.670054 0.670054 0.250000 O\n0.666305 0.692749 0.932195 O\n0.692749 0.333695 0.067805 O\n0.307250 0.666305 0.067805 O\n0.692749 0.666305 0.567805 O\n0.329946 0.670054 0.750000 O\n0.666305 0.307250 0.432195 O\n0.500000 0.000000 0.618092 O\n",
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"volume": 355.55321216593194,
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"formula_full": "Si8 O16",
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},
{
"id": "jvasp-118134",
"created_at": "2022-09-04T14:38:37.392312Z",
"updated_at": "2022-09-04T14:38:37.392346Z",
"structure_string": "P1 Cl1\n1.0\n4.411469 -0.000000 -0.000000\n-2.205734 3.820444 -0.000000\n0.000000 0.000000 2.915413\nP Cl\n1 1\ndirect\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.000000 Cl\n",
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},
{
"id": "jvasp-95220",
"created_at": "2022-09-04T14:36:13.016492Z",
"updated_at": "2022-09-04T14:36:13.016517Z",
"structure_string": "Ca4 B6 H26 O26\n1.0\n7.927899 -0.017169 -0.651993\n-3.282973 8.601988 -3.487014\n-0.016008 -0.008041 7.249991\nCa B H O\n4 6 26 26\ndirect\n0.917712 0.965123 0.741138 Ca\n0.082288 0.034877 0.258863 Ca\n0.886873 0.329593 0.581310 Ca\n0.113127 0.670408 0.418691 Ca\n0.716675 0.973316 0.364653 B\n0.283326 0.026684 0.635348 B\n0.761802 0.711631 0.310609 B\n0.238199 0.288369 0.689392 B\n0.469138 0.711023 0.138720 B\n0.530862 0.288977 0.861281 B\n0.430065 0.142082 0.108383 H\n0.562171 0.003943 0.834786 H\n0.437830 0.996057 0.165215 H\n0.990337 0.690495 0.808898 H\n0.009664 0.309505 0.191103 H\n0.457087 0.623109 0.422140 H\n0.568190 0.351122 0.345444 H\n0.431810 0.648878 0.654557 H\n0.542913 0.376891 0.577861 H\n0.569935 0.857918 0.891618 H\n0.853092 0.369697 0.149794 H\n0.211163 0.226205 0.066022 H\n0.146909 0.630303 0.850207 H\n0.501455 0.431213 0.132051 H\n0.788837 0.773795 0.933979 H\n0.371397 0.913804 0.369954 H\n0.749894 0.056965 0.135690 H\n0.250107 0.943035 0.864311 H\n0.744130 0.593667 0.507187 H\n0.628603 0.086196 0.630047 H\n0.905121 0.705275 0.084881 H\n0.094880 0.294725 0.915120 H\n0.223742 0.533538 0.023244 H\n0.776258 0.466462 0.976757 H\n0.255870 0.406333 0.492814 H\n0.498546 0.568788 0.867949 H\n0.950897 0.389587 0.260385 O\n0.512117 0.680931 0.931070 O\n0.487883 0.319069 0.068931 O\n0.529658 0.880917 0.255789 O\n0.470342 0.119083 0.744212 O\n0.642032 0.954672 0.878014 O\n0.079508 0.181306 0.051642 O\n0.357968 0.045328 0.121987 O\n0.049103 0.610414 0.739616 O\n0.726844 0.355711 0.875206 O\n0.920492 0.818694 0.948359 O\n0.273156 0.644289 0.124795 O\n0.817223 0.691897 0.499151 O\n0.564894 0.639332 0.240471 O\n0.132367 0.357966 0.833366 O\n0.867633 0.642035 0.166635 O\n0.182778 0.308103 0.500850 O\n0.170915 0.121110 0.639660 O\n0.829085 0.878890 0.360341 O\n0.197551 0.910343 0.719683 O\n0.802449 0.089658 0.280318 O\n0.260389 0.926725 0.418658 O\n0.739611 0.073275 0.581343 O\n0.631984 0.394108 0.488066 O\n0.435106 0.360668 0.759530 O\n0.368016 0.605893 0.511935 O\n",
"nsites": 62,
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],
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"density": 2.2447611439949906,
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"volume": 493.6792645471761,
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"formula_full": "Ca4 B6 H26 O26",
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},
{
"id": "jvasp-115687",
"created_at": "2022-09-04T14:38:48.299562Z",
"updated_at": "2022-09-04T14:38:48.299593Z",
"structure_string": "Rb1 Br1 Cl1\n1.0\n6.262099 2.184023 0.000000\n1.980196 5.878709 0.000000\n0.000000 0.000000 4.572970\nRb Br Cl\n1 1 1\ndirect\n-0.023932 -0.050365 0.000000 Rb\n0.477053 -0.051796 0.000000 Br\n-0.022605 0.448611 0.000000 Cl\n",
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"formula_full": "Rb1 Br1 Cl1",
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"spacegroup": 10
},
{
"id": "jvasp-18493",
"created_at": "2022-09-04T14:36:02.111754Z",
"updated_at": "2022-09-04T14:36:02.111778Z",
"structure_string": "Li4 Fe1 N2\n1.0\n3.152832 0.000000 1.182072\n0.883862 5.050445 2.438221\n-0.284555 1.139376 5.554635\nLi Fe N\n4 1 2\ndirect\n0.658824 0.601476 0.080876 Li\n0.341175 0.398525 -0.080877 Li\n0.341174 -0.080876 0.398525 Li\n0.658823 0.080877 0.601476 Li\n0.000000 0.000000 0.000000 Fe\n0.179252 0.820747 0.820746 N\n0.820745 0.179255 0.179254 N\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.08476827810921822,
"volume": 82.5780605214249,
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"formula_full": "Li4 Fe1 N2",
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"spacegroup": 71
},
{
"id": "jvasp-100608",
"created_at": "2022-09-04T14:36:46.994295Z",
"updated_at": "2022-09-04T14:36:46.994313Z",
"structure_string": "Mg4 Sc2\n1.0\n6.002869 0.010404 1.566353\n5.164878 3.059178 1.566353\n-0.003424 -0.000941 7.560071\nMg Sc\n4 2\ndirect\n0.196456 0.196456 0.857903 Mg\n0.860170 0.860168 0.530789 Mg\n0.139832 0.139832 0.469210 Mg\n0.803545 0.803544 0.142096 Mg\n0.476383 0.476382 0.805659 Sc\n0.523619 0.523618 0.194340 Sc\n",
"nsites": 6,
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"spacegroup": 12
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{
"id": "jvasp-103548",
"created_at": "2022-09-04T14:36:49.992879Z",
"updated_at": "2022-09-04T14:36:49.992898Z",
"structure_string": "Li2 Mn1 F6\n1.0\n5.686780 0.000000 -0.000000\n-2.843390 4.924896 0.000000\n-0.000000 0.000000 4.829512\nLi Mn F\n2 1 6\ndirect\n0.333333 0.666668 0.247240 Li\n0.666667 0.333333 0.752760 Li\n0.000000 0.000000 0.000000 Mn\n0.151672 0.848329 0.217449 F\n0.151672 0.303343 0.217449 F\n0.303343 0.151671 0.782551 F\n0.696658 0.848329 0.217449 F\n0.848329 0.696658 0.782551 F\n0.848329 0.151671 0.782551 F\n",
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"density": 2.24431291261184,
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"volume": 135.25917704323388,
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"formula_full": "Li2 Mn1 F6",
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"spacegroup": 164
}
]
}