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{
"id": "jvasp-13745",
"created_at": "2022-09-04T14:36:31.018295Z",
"updated_at": "2022-09-04T14:36:31.018333Z",
"structure_string": "Ca2 Si2\n1.0\n3.908106 -0.000000 0.000000\n0.000000 4.185835 -1.745501\n-0.000000 -0.032394 5.814029\nCa Si\n2 2\ndirect\n0.250000 0.861161 0.722318 Ca\n0.750001 0.138841 0.277683 Ca\n0.250000 0.570555 0.141108 Si\n0.750001 0.429447 0.858893 Si\n",
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{
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"structure_string": "Nb1 S2\n1.0\n3.330013 0.000000 0.479552\n1.665007 2.913641 0.239776\n0.074853 0.000002 11.277553\nNb S\n1 2\ndirect\n0.077573 0.844856 0.000000 Nb\n0.814547 0.511521 0.859331 S\n0.673930 0.511522 0.140669 S\n",
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{
"id": "jvasp-121072",
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"structure_string": "H1 C1\n1.0\n2.651392 0.000000 -0.000000\n-1.325696 2.296173 0.000000\n0.000000 -0.000000 1.488706\nH C\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.333330 0.666666 0.000000 C\n",
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{
"id": "jvasp-86285",
"created_at": "2022-09-04T14:35:44.376243Z",
"updated_at": "2022-09-04T14:35:44.376263Z",
"structure_string": "Sr1 Li4 P2\n1.0\n4.128909 0.004328 7.083394\n1.917073 3.656875 7.083394\n0.007147 0.004328 8.198921\nSr Li P\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.430288 0.430290 0.430288 Li\n0.137861 0.137861 0.137861 Li\n0.569711 0.569713 0.569710 Li\n0.862138 0.862141 0.862137 Li\n0.754264 0.754266 0.754263 P\n0.245735 0.245736 0.245735 P\n",
"nsites": 7,
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"volume": 123.47397634257962,
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"formula_full": "Sr1 Li4 P2",
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"formula_anonymous": "AB2C4",
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"spacegroup": 166
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{
"id": "jvasp-86887",
"created_at": "2022-09-04T14:36:14.801882Z",
"updated_at": "2022-09-04T14:36:14.801905Z",
"structure_string": "Sr1 Li4 P2\n1.0\n4.128931 0.004313 7.083380\n1.917069 3.656902 7.083380\n0.007122 0.004313 8.198920\nSr Li P\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.430290 0.430289 0.430291 Li\n0.137856 0.137856 0.137857 Li\n0.569710 0.569709 0.569711 Li\n0.862144 0.862142 0.862145 Li\n0.754266 0.754264 0.754267 P\n0.245734 0.245734 0.245734 P\n",
"nsites": 7,
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"volume": 123.47665020557277,
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{
"id": "jvasp-94391",
"created_at": "2022-09-04T14:35:43.286064Z",
"updated_at": "2022-09-04T14:35:43.286083Z",
"structure_string": "Y1 Mg5\n1.0\n5.750051 0.000000 0.000000\n-2.875024 4.979690 -0.000000\n0.000000 -0.000000 5.117541\nY Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.628818 0.000000 Mg\n0.628818 -0.000000 0.000000 Mg\n0.371182 0.371182 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
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{
"id": "jvasp-74430",
"created_at": "2022-09-04T14:35:50.043466Z",
"updated_at": "2022-09-04T14:35:50.043486Z",
"structure_string": "K2 Be1 Se1\n1.0\n5.135876 0.000000 -0.000000\n0.000000 5.135876 0.000000\n-0.000000 0.000000 4.387250\nK Be Se\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Se\n",
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{
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"created_at": "2022-09-04T14:37:33.215466Z",
"updated_at": "2022-09-04T14:37:33.215495Z",
"structure_string": "Li24 Al8 N16\n1.0\n7.719011 0.000000 -2.729083\n-3.859506 6.684860 -2.729083\n0.000000 0.000000 8.187248\nLi Al N\n24 8 16\ndirect\n0.988387 0.460180 0.225160 Li\n0.960179 0.971794 0.235021 Li\n0.725159 0.264979 0.236773 Li\n0.539819 0.774841 0.011613 Li\n0.488387 0.263227 0.528206 Li\n0.236773 0.725159 0.264979 Li\n0.774840 0.011613 0.539820 Li\n0.528206 0.488387 0.263227 Li\n0.263227 0.528206 0.488388 Li\n0.235020 0.960180 0.971794 Li\n0.264979 0.236773 0.725160 Li\n0.011612 0.539820 0.774841 Li\n0.971794 0.235021 0.960181 Li\n0.039820 0.028206 0.764979 Li\n0.735020 0.763227 0.274841 Li\n0.736773 0.471794 0.511613 Li\n0.471794 0.511613 0.736774 Li\n0.225159 0.988387 0.460180 Li\n0.764979 0.039820 0.028206 Li\n0.028206 0.764979 0.039820 Li\n0.460180 0.225159 0.988388 Li\n0.274840 0.735021 0.763227 Li\n0.763227 0.274841 0.735021 Li\n0.511612 0.736773 0.471794 Li\n0.231712 0.231712 0.231712 Al\n-0.000000 0.731712 0.500000 Al\n0.768288 0.768288 0.768289 Al\n0.268288 0.500000 0.000000 Al\n0.500000 0.000000 0.268288 Al\n-0.000000 0.268288 0.500000 Al\n0.731711 0.500000 0.000000 Al\n0.500000 0.000000 0.731712 Al\n0.468702 0.218702 0.250000 N\n0.968702 0.718702 0.250000 N\n-0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.250000 0.468702 0.218703 N\n0.031297 0.281298 0.750000 N\n0.000000 0.000000 0.000000 N\n0.750000 0.531298 0.781298 N\n0.218702 0.250000 0.468703 N\n0.718702 0.250000 0.968703 N\n0.531297 0.781298 0.750000 N\n0.781297 0.750000 0.531298 N\n0.249999 0.968702 0.718703 N\n0.750000 0.031298 0.281298 N\n0.281297 0.750000 0.031298 N\n",
"nsites": 48,
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"formula_full": "Li24 Al8 N16",
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{
"id": "jvasp-20970",
"created_at": "2022-09-04T14:38:07.080655Z",
"updated_at": "2022-09-04T14:38:07.080679Z",
"structure_string": "Na20 Ge4 P12\n1.0\n0.000000 8.090625 0.015606\n7.356323 0.000000 0.000000\n0.000000 -8.064783 -13.151678\nNa Ge P\n20 4 12\ndirect\n0.167670 0.851588 0.242062 Na\n0.159112 0.336855 0.580950 Na\n0.245217 0.966153 0.915111 Na\n0.832331 0.148412 0.757938 Na\n0.832331 0.351588 0.257938 Na\n0.754785 0.466153 0.584889 Na\n0.754784 0.033847 0.084889 Na\n0.245216 0.533847 0.415111 Na\n0.915317 0.518101 0.087586 Na\n0.084684 0.018101 0.412414 Na\n0.167670 0.648411 0.742062 Na\n0.915317 0.981898 0.587586 Na\n0.563668 0.995507 0.241524 Na\n0.436332 0.495507 0.258476 Na\n0.436333 0.004493 0.758476 Na\n0.563668 0.504492 0.741524 Na\n0.840889 0.836855 0.919049 Na\n0.084684 0.481899 0.912414 Na\n0.840888 0.663145 0.419049 Na\n0.159112 0.163145 0.080950 Na\n0.484274 0.356571 0.912614 Ge\n0.515727 0.856571 0.587386 Ge\n0.515727 0.643428 0.087386 Ge\n0.484274 0.143428 0.412614 Ge\n0.764147 0.263226 0.418451 P\n0.235853 0.763225 0.081549 P\n0.816790 0.762102 0.729149 P\n0.183211 0.262103 0.770851 P\n0.183211 0.237897 0.270851 P\n0.477721 0.189761 0.566765 P\n0.522280 0.689761 0.933235 P\n0.522279 0.810239 0.433235 P\n0.477721 0.310239 0.066765 P\n0.816790 0.737897 0.229149 P\n0.764147 0.236774 0.918451 P\n0.235854 0.736774 0.581549 P\n",
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{
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"structure_string": "Ca8 B4 H4 N8\n1.0\n3.654584 -0.000000 0.000000\n-0.000000 9.162674 0.000000\n0.000000 0.000000 9.989445\nCa B H N\n8 4 4 8\ndirect\n0.250000 0.676327 0.524802 Ca\n0.749999 0.323673 0.475197 Ca\n0.250000 0.176327 0.975197 Ca\n0.749999 0.823672 0.024802 Ca\n0.250000 0.525738 0.155177 Ca\n0.749999 0.474261 0.844822 Ca\n0.250000 0.025738 0.344823 Ca\n0.749999 0.974261 0.655177 Ca\n0.250000 0.234823 0.676100 B\n0.749999 0.765177 0.323900 B\n0.250000 0.734823 0.823899 B\n0.749999 0.265177 0.176100 B\n0.250000 0.959516 0.104918 H\n0.749999 0.040483 0.895081 H\n0.250000 0.459516 0.395082 H\n0.749999 0.540483 0.604918 H\n0.749999 0.346993 0.063602 N\n0.749999 0.678738 0.217236 N\n0.250000 0.321261 0.782763 N\n0.749999 0.178739 0.282764 N\n0.250000 0.821261 0.717236 N\n0.749999 0.846993 0.436398 N\n0.250000 0.153007 0.563601 N\n0.250000 0.653006 0.936398 N\n",
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{
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"structure_string": "Na1 Cl1 O3\n1.0\n3.159074 2.069109 2.327720\n-2.979197 1.720040 1.760072\n-0.212364 -3.770393 2.327720\nNa Cl O\n1 1 3\ndirect\n0.198015 0.416355 0.198017 Na\n0.698109 -0.232698 0.698110 Cl\n0.809247 0.529436 0.459979 O\n-0.040353 0.882469 -0.040350 O\n0.459977 0.529436 0.809249 O\n",
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{
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"created_at": "2022-09-04T14:38:53.935088Z",
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"structure_string": "Al1 N1 O1\n1.0\n3.547125 0.000000 0.000000\n-1.773563 3.071901 -0.000000\n-0.000000 0.000000 3.645907\nAl N O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333336 0.666667 0.000000 N\n0.666669 0.333334 0.000000 O\n",
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]
}