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{
"id": "jvasp-111747",
"created_at": "2022-09-04T14:38:42.089391Z",
"updated_at": "2022-09-04T14:38:42.089415Z",
"structure_string": "Er6 Sb2 O14\n1.0\n6.401181 -0.016933 0.000000\n-2.112684 6.042513 0.000000\n0.000000 0.000000 7.442472\nEr Sb O\n6 2 14\ndirect\n0.999541 0.467985 0.749977 Er\n0.000460 0.532015 0.249977 Er\n0.532016 0.000460 0.750022 Er\n0.467985 0.999540 0.250022 Er\n0.500074 0.500073 0.500000 Er\n0.499927 0.499927 0.000000 Er\n0.999994 0.999994 0.500000 Sb\n0.000006 0.000006 0.000000 Sb\n0.074211 0.324966 0.469212 O\n0.925790 0.675034 0.969212 O\n0.630528 0.369472 0.250000 O\n0.369472 0.630528 0.750000 O\n0.674989 0.925706 0.469256 O\n0.325012 0.074294 0.969256 O\n0.926731 0.073269 0.750000 O\n0.925706 0.674988 0.530744 O\n0.073269 0.926731 0.250000 O\n0.324966 0.074211 0.530787 O\n0.362628 0.637372 0.250000 O\n0.637372 0.362628 0.750000 O\n0.074294 0.325012 0.030744 O\n0.675034 0.925789 0.030787 O\n",
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{
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"structure_string": "Y4 Ge1 O8 F2\n1.0\n5.236557 0.024877 -1.909924\n-2.334292 5.927406 -0.044547\n-0.026505 -0.026894 6.844281\nY Ge O F\n4 1 8 2\ndirect\n0.863557 0.716613 0.882419 Y\n0.131106 0.279127 0.141648 Y\n0.555886 0.931998 0.257080 Y\n0.444235 0.071687 0.749008 Y\n0.077941 0.444819 0.637180 Ge\n0.942334 0.256442 0.401557 O\n0.086030 0.725713 0.641162 O\n0.522710 0.568152 0.154073 O\n0.415712 0.436838 0.774646 O\n0.157210 0.639844 0.180794 O\n0.882293 0.347699 0.803309 O\n0.740089 0.975283 0.013734 O\n0.258314 0.036999 0.993275 O\n0.633637 0.861744 0.598488 F\n0.384667 0.141957 0.412736 F\n",
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{
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"created_at": "2022-09-04T14:38:42.094292Z",
"updated_at": "2022-09-04T14:38:42.094324Z",
"structure_string": "Ti2 Zn1 N2\n1.0\n3.116180 0.000000 0.000000\n0.000000 3.116180 0.000000\n-0.000000 0.000000 7.628047\nTi Zn N\n2 1 2\ndirect\n0.500000 0.500000 0.187565 Ti\n0.500000 0.500000 0.812435 Ti\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.670332 N\n0.500000 0.000000 0.329668 N\n",
"nsites": 5,
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"density": 4.240447643680556,
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"formula_full": "Ti2 Zn1 N2",
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{
"id": "jvasp-115365",
"created_at": "2022-09-04T14:38:42.096739Z",
"updated_at": "2022-09-04T14:38:42.096759Z",
"structure_string": "Sr1 P1 S3\n1.0\n4.698474 -0.000000 -0.000000\n-0.000000 4.698474 -0.000000\n0.000000 0.000000 4.698474\nSr P S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 P\n0.499999 0.499999 0.000000 S\n0.499999 0.000000 0.499999 S\n0.000000 0.499999 0.499999 S\n",
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"formula_full": "Sr1 P1 S3",
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},
{
"id": "jvasp-112605",
"created_at": "2022-09-04T14:38:42.098120Z",
"updated_at": "2022-09-04T14:38:42.098130Z",
"structure_string": "Ba2 Nd2 Cu2 Te6\n1.0\n7.797322 0.016029 0.000000\n-6.509598 4.292275 0.000000\n-0.000000 -0.000000 11.669624\nBa Nd Cu Te\n2 2 2 6\ndirect\n0.250987 0.749015 0.250000 Ba\n0.749014 0.250987 0.750000 Ba\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.533351 0.466650 0.250000 Cu\n0.466650 0.533351 0.750000 Cu\n0.640943 0.359058 0.065599 Te\n0.359057 0.640944 0.934401 Te\n0.359057 0.640944 0.565598 Te\n0.640943 0.359058 0.434401 Te\n0.928126 0.071874 0.250000 Te\n0.071875 0.928127 0.750000 Te\n",
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{
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"created_at": "2022-09-04T14:38:42.099541Z",
"updated_at": "2022-09-04T14:38:42.099569Z",
"structure_string": "Sr2 Pr2 Al6 O14\n1.0\n7.921025 0.015328 0.000000\n0.008192 7.921036 0.000000\n0.000000 0.000000 5.231828\nSr Pr Al O\n2 2 6 14\ndirect\n0.160711 0.839288 0.490949 Sr\n0.839288 0.160713 0.490949 Sr\n0.662316 0.662316 0.509700 Pr\n0.337685 0.337685 0.509700 Pr\n0.357564 0.642436 0.039065 Al\n0.855635 0.855636 0.961379 Al\n0.642436 0.357564 0.039065 Al\n0.144365 0.144365 0.961379 Al\n0.500000 0.000000 0.999180 Al\n-0.000000 0.500000 0.999180 Al\n0.833907 0.418622 0.189408 O\n0.338808 0.091478 0.805085 O\n0.091478 0.338808 0.805085 O\n0.581379 0.166094 0.189408 O\n0.908522 0.661192 0.805085 O\n0.418622 0.833907 0.189408 O\n0.849218 0.849219 0.294031 O\n0.000000 0.000000 0.836617 O\n0.150782 0.150782 0.294031 O\n0.631941 0.368059 0.704544 O\n0.661192 0.908523 0.805085 O\n0.368059 0.631942 0.704544 O\n0.500000 0.500000 0.187720 O\n0.166094 0.581379 0.189408 O\n",
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"density": 4.264104187495803,
"density_atomic": 0.07311311406486906,
"volume": 328.2584842263206,
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"formula_full": "Sr2 Pr2 Al6 O14",
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{
"id": "jvasp-112535",
"created_at": "2022-09-04T14:38:42.106061Z",
"updated_at": "2022-09-04T14:38:42.106073Z",
"structure_string": "Rb4 S4 N2 O12\n1.0\n7.311946 0.099435 0.483811\n3.464633 6.439780 0.483811\n0.027724 0.016823 7.599310\nRb S N O\n4 4 2 12\ndirect\n0.294663 -0.009084 0.150538 Rb\n0.009084 0.705337 0.349462 Rb\n0.705337 0.009085 0.849462 Rb\n-0.009085 0.294663 0.650538 Rb\n0.778331 0.425681 0.142676 S\n0.574320 0.221669 0.357324 S\n0.221669 0.574319 0.857324 S\n0.425680 0.778331 0.642676 S\n0.562128 0.437872 0.250000 N\n0.437871 0.562128 0.750000 N\n0.631981 0.066610 0.222103 O\n0.933391 0.368020 0.277897 O\n0.637303 0.704783 0.567640 O\n0.295217 0.362696 0.932360 O\n0.362696 0.295218 0.432360 O\n0.848307 0.265770 0.010228 O\n0.265769 0.848307 0.510228 O\n0.151693 0.734230 -0.010228 O\n0.734230 0.151693 0.489772 O\n0.066609 0.631980 0.722103 O\n0.704782 0.637304 0.067640 O\n0.368019 0.933391 0.777897 O\n",
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"elements": [
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},
{
"id": "jvasp-116283",
"created_at": "2022-09-04T14:38:42.106978Z",
"updated_at": "2022-09-04T14:38:42.106993Z",
"structure_string": "Li2 H2\n1.0\n5.246216 -0.045238 -0.056863\n-1.777866 -3.880915 0.352354\n1.736587 1.381283 -2.059495\nLi H\n2 2\ndirect\n0.053286 0.041514 0.883876 Li\n0.553323 0.541449 0.383761 Li\n0.303278 0.041528 0.133873 H\n0.803294 0.541586 0.633926 H\n",
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},
{
"id": "jvasp-111847",
"created_at": "2022-09-04T14:38:42.108002Z",
"updated_at": "2022-09-04T14:38:42.108026Z",
"structure_string": "Mg6 Mo2 N8\n1.0\n5.799665 -0.012975 -0.045396\n1.407187 5.626377 -0.045396\n0.006118 0.004765 6.049535\nMg Mo N\n6 2 8\ndirect\n0.150118 0.615102 0.168262 Mg\n0.849883 0.384897 0.831736 Mg\n0.384898 0.849882 0.831736 Mg\n0.615102 0.150117 0.168262 Mg\n0.113718 0.113718 0.323573 Mg\n0.886282 0.886281 0.676425 Mg\n0.668223 0.668222 0.330359 Mo\n0.331778 0.331777 0.669638 Mo\n0.124699 0.124698 0.681786 N\n0.875301 0.875300 0.318212 N\n0.601823 0.151373 0.820248 N\n0.398177 0.848626 0.179750 N\n0.848626 0.398176 0.179750 N\n0.151375 0.601823 0.820248 N\n0.356947 0.356947 0.365699 N\n0.643053 0.643052 0.634299 N\n",
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{
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"created_at": "2022-09-04T14:38:42.109996Z",
"updated_at": "2022-09-04T14:38:42.110019Z",
"structure_string": "Li2 Au1\n1.0\n4.375411 0.000000 1.513990\n0.000000 2.700958 0.000000\n0.875786 0.000000 4.546269\nLi Au\n2 1\ndirect\n-0.267003 0.000000 0.074397 Li\n0.399672 0.000000 -0.258928 Li\n0.066394 0.000000 0.407720 Au\n",
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{
"id": "jvasp-112001",
"created_at": "2022-09-04T14:38:42.110074Z",
"updated_at": "2022-09-04T14:38:42.110092Z",
"structure_string": "H6 C9 S1 O1\n1.0\n3.962187 -0.000666 0.738208\n1.130136 6.048358 0.859961\n0.153045 -0.027150 7.251075\nH C S O\n6 9 1 1\ndirect\n0.755208 0.368940 0.474383 H\n0.684447 0.149997 0.059631 H\n0.957876 0.921626 0.952495 H\n0.302988 0.581463 0.421852 H\n0.940319 0.691928 0.723448 H\n0.158856 0.264477 0.182047 H\n0.106127 0.136888 0.298123 C\n0.877393 0.196544 0.461666 C\n0.483925 0.845486 0.103431 C\n0.583232 0.110233 0.792895 C\n0.187567 0.754790 0.434594 C\n0.816238 0.038185 0.616393 C\n0.981153 0.816954 0.603252 C\n0.689911 0.008646 0.982437 C\n0.258864 0.913327 0.280122 C\n0.521682 0.597601 0.037078 S\n0.326862 0.255775 0.788478 O\n",
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{
"id": "jvasp-116557",
"created_at": "2022-09-04T14:38:42.112305Z",
"updated_at": "2022-09-04T14:38:42.112326Z",
"structure_string": "Sr4 P4 O16\n1.0\n6.648433 -0.075416 -1.160737\n-0.021545 7.159019 -0.700311\n-0.429025 0.652276 6.918537\nSr P O\n4 4 16\ndirect\n0.405108 0.347105 0.228069 Sr\n0.594891 0.652896 0.771931 Sr\n0.904772 0.153210 0.727915 Sr\n0.095228 0.846791 0.272085 Sr\n0.604975 0.840897 0.301874 P\n0.395025 0.159103 0.698126 P\n0.895105 0.341116 0.198520 P\n0.104894 0.658884 0.801480 P\n0.943925 0.504432 0.742805 O\n0.056075 0.495569 0.257195 O\n0.288611 0.596699 0.966986 O\n0.711389 0.403301 0.033014 O\n0.001889 0.826210 0.878811 O\n-0.001889 0.173791 0.121189 O\n0.556162 0.004345 0.756801 O\n0.497837 0.325600 0.620990 O\n0.306614 0.210765 0.877100 O\n0.693386 0.789236 0.122900 O\n0.806418 0.290448 0.377080 O\n0.502163 0.674400 0.379010 O\n0.210966 0.096625 0.533180 O\n0.789034 0.903376 0.466820 O\n0.443837 0.995655 0.243199 O\n0.193581 0.709552 0.622920 O\n",
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}
]
}