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{
"id": "jvasp-58514",
"created_at": "2022-09-04T14:37:17.079142Z",
"updated_at": "2022-09-04T14:37:17.079166Z",
"structure_string": "Mg2 Bi2 P2 O12\n1.0\n0.000000 6.233951 0.149378\n5.206130 0.000000 0.000000\n0.000000 -2.849038 -7.369461\nMg Bi P O\n2 2 2 12\ndirect\n0.878826 0.250000 0.082847 Mg\n0.121173 0.750000 0.917153 Mg\n0.765741 0.750000 0.440843 Bi\n0.234258 0.250000 0.559156 Bi\n0.384502 0.250000 0.177928 P\n0.615497 0.750000 0.822071 P\n0.488339 0.750000 0.608786 O\n0.220000 0.016155 0.119597 O\n0.983197 0.476358 0.328553 O\n0.983197 0.023642 0.328553 O\n0.511660 0.250000 0.391213 O\n0.559111 0.250000 0.087699 O\n0.440888 0.750000 0.912301 O\n0.780000 0.983845 0.880402 O\n0.780000 0.516155 0.880402 O\n0.016802 0.976358 0.671447 O\n0.016802 0.523642 0.671447 O\n0.220000 0.483845 0.119597 O\n",
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{
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"updated_at": "2022-09-04T14:35:46.764947Z",
"structure_string": "K1 Rb1 Mn1 F6\n1.0\n5.064518 -0.000000 2.924001\n1.688173 4.774874 2.924001\n-0.000000 -0.000000 5.848002\nK Rb Mn F\n1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.778558 0.778558 0.221442 F\n0.221442 0.778558 0.221442 F\n0.778558 0.221442 0.221442 F\n0.221442 0.221442 0.778558 F\n0.778558 0.221442 0.778558 F\n0.221442 0.778558 0.778558 F\n",
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{
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"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
"nsites": 18,
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},
{
"id": "jvasp-119065",
"created_at": "2022-09-04T14:38:50.943247Z",
"updated_at": "2022-09-04T14:38:50.943278Z",
"structure_string": "K2 Mn2 I2 O12\n1.0\n5.083506 -0.000000 0.000000\n-2.541753 4.402446 0.000000\n-0.000000 -0.000000 11.838412\nK Mn I O\n2 2 2 12\ndirect\n0.666668 0.333334 0.250000 K\n0.666668 0.333334 0.750000 K\n0.333334 0.666667 0.500000 Mn\n0.333334 0.666667 -0.000000 Mn\n0.000000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.664979 0.952148 0.590897 O\n0.664979 0.952148 0.090897 O\n0.664979 0.712831 0.909103 O\n0.664979 0.712831 0.409103 O\n0.287171 0.335023 0.590897 O\n0.287171 0.952148 0.409103 O\n0.287171 0.952148 0.909103 O\n0.047853 0.712831 0.090897 O\n0.047853 0.335023 0.909103 O\n0.047853 0.335023 0.409103 O\n0.287171 0.335023 0.090897 O\n0.047853 0.712831 0.590897 O\n",
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{
"id": "jvasp-116565",
"created_at": "2022-09-04T14:38:42.158129Z",
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"structure_string": "Li3 Mg3 Al3 F18\n1.0\n8.355380 0.000000 0.000000\n-4.177691 7.235971 0.000000\n-0.000000 -0.000000 4.525287\nLi Mg Al F\n3 3 3 18\ndirect\n0.297321 0.297321 0.500000 Li\n0.000000 0.702679 0.500000 Li\n0.702679 -0.000000 0.500000 Li\n0.640081 0.640081 -0.000000 Mg\n0.000000 0.359919 -0.000000 Mg\n0.359919 -0.000000 -0.000000 Mg\n0.333333 0.666667 0.495330 Al\n0.666667 0.333333 0.504670 Al\n0.000000 0.000000 0.000000 Al\n0.575453 0.126268 0.734167 F\n0.760057 0.541194 0.277354 F\n0.541194 0.760057 0.722647 F\n0.239943 0.781138 0.722647 F\n0.218862 0.458806 0.722647 F\n0.873732 0.449185 0.734167 F\n0.550815 0.424547 0.734167 F\n0.126268 0.575453 0.265833 F\n0.904085 0.114344 0.778921 F\n0.449185 0.873731 0.265833 F\n0.210259 0.095915 0.778921 F\n0.781138 0.239943 0.277354 F\n0.885656 0.789741 0.778921 F\n0.789741 0.885655 0.221080 F\n0.114345 0.904085 0.221080 F\n0.095915 0.210259 0.221080 F\n0.424547 0.550815 0.265833 F\n0.458806 0.218862 0.277354 F\n",
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"formula_full": "Li3 Mg3 Al3 F18",
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{
"id": "jvasp-26365",
"created_at": "2022-09-04T14:37:47.759341Z",
"updated_at": "2022-09-04T14:37:47.759350Z",
"structure_string": "Rb1 Ge1 I1 O6\n1.0\n5.105494 0.000042 -0.000055\n2.552704 4.421549 -0.000046\n0.000046 -0.000030 6.361379\nRb Ge I O\n1 1 1 6\ndirect\n0.999998 0.000002 -0.000000 Rb\n0.333329 0.333334 0.500000 Ge\n0.666666 0.666666 0.500001 I\n0.997852 0.617820 0.328865 O\n0.617816 0.997849 0.671134 O\n0.384332 0.617816 0.671134 O\n0.997852 0.384326 0.671136 O\n0.617817 0.384333 0.328867 O\n0.384332 0.997853 0.328866 O\n",
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},
{
"id": "jvasp-111486",
"created_at": "2022-09-04T14:38:40.364423Z",
"updated_at": "2022-09-04T14:38:40.364450Z",
"structure_string": "Ta2 Ti2 Ga2 O12\n1.0\n4.663913 -0.000000 0.000000\n-0.000000 4.663913 0.000000\n0.000000 0.000000 9.073186\nTa Ti Ga O\n2 2 2 12\ndirect\n0.500000 0.500000 0.833402 Ta\n0.000000 0.000000 0.333401 Ta\n0.500000 0.500000 0.499440 Ti\n0.000000 0.000000 0.999440 Ti\n0.500000 0.500000 0.167467 Ga\n0.000000 0.000000 0.667467 Ga\n0.699589 0.699589 0.998863 O\n0.304614 0.304614 0.665629 O\n0.304436 0.304436 0.335355 O\n0.300410 0.300410 0.998863 O\n0.804435 0.195564 0.835355 O\n0.195564 0.804435 0.835355 O\n0.804613 0.195386 0.165629 O\n0.695564 0.695564 0.335355 O\n0.199589 0.800410 0.498863 O\n0.195386 0.804613 0.165629 O\n0.800410 0.199589 0.498863 O\n0.695386 0.695386 0.665629 O\n",
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{
"id": "jvasp-119208",
"created_at": "2022-09-04T14:38:50.291288Z",
"updated_at": "2022-09-04T14:38:50.291315Z",
"structure_string": "Ba2 Sr2 Pd2 F12\n1.0\n9.033410 -0.013633 0.000000\n-7.019542 5.685834 0.000000\n-0.000000 -0.000000 6.012476\nBa Sr Pd F\n2 2 2 12\ndirect\n0.336290 0.663709 0.500000 Ba\n0.836291 0.163710 -0.000000 Ba\n0.659918 0.340082 0.500000 Sr\n0.159918 0.840081 -0.000000 Sr\n0.004216 0.995782 0.500000 Pd\n0.504217 0.495783 -0.000000 Pd\n0.252637 0.077351 0.334510 F\n0.922649 0.747363 0.665491 F\n0.581308 0.742061 0.162164 F\n0.257939 0.418691 0.837836 F\n0.757939 0.918691 0.662165 F\n0.484682 -0.000359 0.748731 F\n0.000360 0.515318 0.251270 F\n0.752637 0.577351 0.165491 F\n0.984682 0.499641 0.751270 F\n0.500360 0.015318 0.248731 F\n0.081308 0.242061 0.337836 F\n0.422649 0.247363 0.834510 F\n",
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{
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"updated_at": "2022-09-04T14:38:08.005088Z",
"structure_string": "Li2 V2 W2 O12\n1.0\n5.072460 0.016854 0.006999\n1.290336 6.625358 -0.014411\n2.410500 2.541825 6.336900\nLi V W O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.500000 Li\n0.046717 0.350004 0.230073 V\n0.953284 0.649995 0.769927 V\n0.449443 0.647306 0.265028 W\n0.550558 0.352693 0.734973 W\n0.745220 0.436842 0.435364 O\n0.244326 0.438233 0.936294 O\n0.440328 0.104110 0.774586 O\n0.951201 0.111213 0.280775 O\n0.048801 0.888786 0.719225 O\n0.755676 0.561766 0.063707 O\n0.254781 0.563157 0.564637 O\n0.683871 0.694952 0.662672 O\n0.316130 0.305047 0.337328 O\n0.170231 0.724154 0.148818 O\n0.559673 0.895889 0.225414 O\n0.829770 0.275845 0.851182 O\n",
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{
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"structure_string": "Ca2 Bi2 As2 O12\n1.0\n0.000000 7.048916 0.133852\n5.164633 0.000000 0.000000\n0.000000 -1.873016 -7.247867\nCa Bi As O\n2 2 2 12\ndirect\n0.243246 0.775456 0.067616 Ca\n0.756755 0.275456 0.932385 Ca\n0.594303 0.220629 0.412951 Bi\n0.405698 0.720628 0.587049 Bi\n0.786470 0.804081 0.223127 As\n0.213530 0.304081 0.776874 As\n0.431115 0.484594 0.870567 O\n0.077019 0.372208 0.926498 O\n0.316175 0.999340 0.367466 O\n0.765448 0.472234 0.231351 O\n0.607141 0.023192 0.683059 O\n0.147049 0.460237 0.561929 O\n0.683825 0.499341 0.632535 O\n0.922982 0.872208 0.073503 O\n0.568885 0.984594 0.129433 O\n0.392860 0.523192 0.316942 O\n0.234552 0.972234 0.768650 O\n0.852951 0.960236 0.438072 O\n",
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{
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"created_at": "2022-09-04T14:38:09.767086Z",
"updated_at": "2022-09-04T14:38:09.767117Z",
"structure_string": "Li2 Ta2 W2 O12\n1.0\n3.686445 -2.125769 -5.990308\n0.000000 4.230537 -5.982883\n3.686445 2.125769 5.990308\nLi Ta W O\n2 2 2 12\ndirect\n0.124999 0.625000 0.375000 Li\n0.624999 0.625000 0.874999 Li\n0.124999 0.625000 0.875000 Ta\n0.124999 0.125000 0.874999 Ta\n0.125000 0.125000 0.375000 W\n0.624999 0.125000 0.874999 W\n0.807416 0.190444 0.814031 O\n0.064032 0.433829 0.557417 O\n0.200212 0.799787 0.799787 O\n0.819688 0.180311 0.180310 O\n0.049786 0.450213 0.950213 O\n0.185967 0.816172 0.192583 O\n0.185967 0.190444 0.192583 O\n0.807416 0.816172 0.814032 O\n0.442582 0.059556 0.935967 O\n0.442582 0.433829 0.935967 O\n0.430310 0.069689 0.569688 O\n0.064032 0.059556 0.557417 O\n",
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{
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"created_at": "2022-09-04T14:35:46.164900Z",
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"structure_string": "K4 V4 S4 O24\n1.0\n5.416145 0.000000 0.000000\n0.000000 8.219476 0.000000\n0.000000 0.000000 11.126794\nK V S O\n4 4 4 24\ndirect\n0.276901 0.439174 0.887472 K\n0.776902 0.560826 0.612527 K\n0.723099 0.060826 0.387473 K\n0.223099 0.939175 0.112527 K\n0.293447 0.904182 0.687710 V\n0.793447 0.095819 0.812290 V\n0.206554 0.404181 0.312290 V\n0.706554 0.595819 0.187710 V\n0.211839 0.800645 0.459644 S\n0.288161 0.300645 0.540356 S\n0.788162 0.699356 0.959644 S\n0.711840 0.199356 0.040356 S\n0.256912 0.234596 0.242295 O\n0.539280 0.119842 0.946843 O\n0.878282 0.864184 0.938164 O\n0.743088 0.265404 0.742295 O\n0.378281 0.135816 0.561836 O\n0.765344 0.598958 0.852991 O\n0.121719 0.635816 0.438164 O\n0.104430 0.046365 0.762871 O\n0.604431 0.953635 0.737128 O\n0.243088 0.734596 0.757705 O\n0.048408 0.301726 0.467551 O\n0.451592 0.801726 0.532448 O\n0.265343 0.401043 0.647008 O\n0.951593 0.198274 0.967551 O\n0.548409 0.698274 0.032449 O\n0.756913 0.765404 0.257705 O\n0.621720 0.364184 0.061836 O\n0.395570 0.546366 0.237128 O\n0.734658 0.098958 0.147008 O\n0.039280 0.880158 0.553157 O\n0.895571 0.453635 0.262872 O\n0.960721 0.619842 0.053157 O\n0.234657 0.901043 0.352991 O\n0.460721 0.380158 0.446843 O\n",
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}