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"results": [
{
"id": "jvasp-50140",
"created_at": "2022-09-04T14:37:08.895940Z",
"updated_at": "2022-09-04T14:37:08.895966Z",
"structure_string": "Li4 Ti4 S8\n1.0\n-5.016775 5.016775 0.000000\n5.016775 -0.000000 5.016780\n5.016775 5.016775 -0.000000\nLi Ti S\n4 4 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500001 Ti\n-0.000000 0.500000 0.500001 Ti\n0.747427 0.005148 0.747427 S\n0.747426 0.494852 0.257723 S\n0.747426 0.494852 0.747427 S\n0.257723 0.005148 0.747427 S\n0.252574 0.505148 0.252575 S\n0.742278 0.994852 0.252575 S\n0.252574 0.994852 0.252575 S\n0.252574 0.505148 0.742278 S\n",
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{
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"structure_string": "Ca8 C4 O12 F8\n1.0\n6.512885 -0.000000 0.000000\n0.000000 7.557026 0.000000\n0.000000 0.000000 7.685576\nCa C O F\n8 4 12 8\ndirect\n0.533138 0.838508 0.675263 Ca\n0.966861 0.838508 0.324737 Ca\n0.466861 0.661493 0.175263 Ca\n0.466861 0.161492 0.324737 Ca\n0.966861 0.338508 0.175263 Ca\n0.033138 0.161492 0.675263 Ca\n0.533138 0.338508 0.824737 Ca\n0.033138 0.661493 0.824737 Ca\n0.749999 0.470868 0.500000 C\n0.250000 0.029133 0.000000 C\n0.250000 0.529133 0.500000 C\n0.749999 0.970868 0.000000 C\n0.822415 0.554626 0.367344 O\n0.322416 0.445375 0.367344 O\n0.177584 0.445375 0.632657 O\n0.822415 0.054626 0.132656 O\n0.322416 0.945375 0.132656 O\n0.677583 0.054626 0.867344 O\n0.677583 0.554626 0.632657 O\n0.749999 0.298162 0.500000 O\n0.250000 0.701838 0.500000 O\n0.749999 0.798163 0.000000 O\n0.250000 0.201838 0.000000 O\n0.177584 0.945375 0.867344 O\n0.602983 0.378609 0.120232 F\n0.102983 0.121391 0.379769 F\n0.897016 0.378609 0.879769 F\n0.397017 0.621391 0.879769 F\n0.602983 0.878609 0.379769 F\n0.102983 0.621391 0.120232 F\n0.397017 0.121391 0.620232 F\n0.897016 0.878609 0.620232 F\n",
"nsites": 32,
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"formula_full": "Ca8 C4 O12 F8",
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{
"id": "jvasp-68039",
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"updated_at": "2022-09-04T14:35:57.431743Z",
"structure_string": "Li1 Ti2 Be1\n1.0\n2.789083 0.000000 0.000000\n0.000000 2.789083 -0.000000\n-0.000000 0.000000 7.621369\nLi Ti Be\n1 2 1\ndirect\n0.499999 0.499999 0.704027 Li\n0.000000 0.000000 0.015944 Ti\n0.499999 0.499999 0.280542 Ti\n0.000000 0.000000 0.499487 Be\n",
"nsites": 4,
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{
"id": "jvasp-43888",
"created_at": "2022-09-04T14:37:15.577099Z",
"updated_at": "2022-09-04T14:37:15.577126Z",
"structure_string": "Li10 Fe2 O2 F10\n1.0\n2.554272 4.374043 -0.012878\n-2.554272 4.374043 0.012878\n-3.555407 0.000000 9.593833\nLi Fe O F\n10 2 2 10\ndirect\n0.170005 0.200524 0.741090 Li\n0.490959 0.508178 0.746984 Li\n0.855771 0.817739 0.745392 Li\n0.327230 0.346288 0.506441 Li\n0.683170 0.665731 0.509177 Li\n0.182261 0.144228 0.245392 Li\n0.799475 0.829994 0.241090 Li\n0.491822 0.509040 0.246984 Li\n0.334269 0.316829 0.009177 Li\n0.653711 0.672769 0.006441 Li\n0.028873 0.993610 0.007812 Fe\n0.006389 0.971127 0.507812 Fe\n0.086931 0.595647 0.620881 O\n0.404353 0.913067 0.120881 O\n0.559924 0.087080 0.369036 F\n0.262591 0.748105 0.867795 F\n0.433414 0.932252 0.627276 F\n0.251894 0.737408 0.367795 F\n0.067747 0.566585 0.127276 F\n0.912919 0.440075 0.869036 F\n0.605114 0.085139 0.879363 F\n0.747838 0.271536 0.628751 F\n0.914861 0.394885 0.379363 F\n0.728464 0.252161 0.128752 F\n",
"nsites": 24,
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{
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"created_at": "2022-09-04T14:37:43.969032Z",
"updated_at": "2022-09-04T14:37:43.969061Z",
"structure_string": "Ca2 Cr2 F10\n1.0\n5.192631 0.006409 1.916618\n1.154606 5.062642 1.916618\n-0.062675 -0.050054 7.519138\nCa Cr F\n2 2 10\ndirect\n0.546314 0.453688 0.750000 Ca\n0.453688 0.546313 0.250000 Ca\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.801563 0.741858 0.618604 F\n0.258143 0.198439 0.881397 F\n0.198439 0.258143 0.381397 F\n0.741858 0.801562 0.118604 F\n0.935458 0.064543 0.750000 F\n0.064543 0.935458 0.250000 F\n0.723392 0.313162 0.025542 F\n0.686838 0.276609 0.474458 F\n0.276609 0.686838 0.974458 F\n0.313163 0.723392 0.525542 F\n",
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"density": 3.128117259766873,
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"volume": 198.60546639372302,
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"formula_full": "Ca2 Cr2 F10",
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"spacegroup": 15
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{
"id": "jvasp-67390",
"created_at": "2022-09-04T14:36:12.255639Z",
"updated_at": "2022-09-04T14:36:12.255657Z",
"structure_string": "Li1 Y1 Be1\n1.0\n2.270290 -3.932255 0.000000\n2.270290 3.932255 0.000000\n-0.000000 0.000000 3.117823\nLi Y Be\n1 1 1\ndirect\n0.333333 0.666667 0.166929 Li\n0.666667 0.333333 0.666623 Y\n0.000000 -0.000000 0.166448 Be\n",
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{
"id": "jvasp-92861",
"created_at": "2022-09-04T14:36:04.009346Z",
"updated_at": "2022-09-04T14:36:04.009365Z",
"structure_string": "Mg6 Nb1 Cr1\n1.0\n6.203161 0.290589 0.000000\n-2.849923 4.936212 0.000000\n0.000000 0.000000 4.907989\nMg Nb Cr\n6 1 1\ndirect\n0.648768 0.324374 0.250000 Mg\n0.648768 0.824393 0.250000 Mg\n0.331028 0.164245 0.750000 Mg\n0.331028 0.666784 0.750000 Mg\n0.855555 0.177778 0.750000 Mg\n0.879633 0.689817 0.750000 Mg\n0.147215 0.323606 0.250000 Nb\n0.158005 0.829002 0.250000 Cr\n",
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{
"id": "jvasp-10138",
"created_at": "2022-09-04T14:37:11.736419Z",
"updated_at": "2022-09-04T14:37:11.736430Z",
"structure_string": "K4 P4 Pd2\n1.0\n5.902471 -0.000000 -0.000000\n0.000000 5.723043 -2.616919\n-0.000000 0.069534 7.718498\nK P Pd\n4 4 2\ndirect\n0.750000 0.790260 0.580520 K\n0.750000 0.420550 0.841100 K\n0.250000 0.209739 0.419480 K\n0.250000 0.579449 0.158899 K\n0.750000 0.287776 0.226743 P\n0.250000 0.061034 0.773257 P\n0.250000 0.712223 0.773257 P\n0.750000 0.938964 0.226742 P\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:38:53.747079Z",
"updated_at": "2022-09-04T14:38:53.747116Z",
"structure_string": "Zr2 S4 O18\n1.0\n5.123025 0.055079 0.331976\n-2.180600 6.731249 -2.164122\n-0.085619 -0.257465 9.257735\nZr S O\n2 4 18\ndirect\n0.207483 0.882598 0.722808 Zr\n0.792519 0.117403 0.277194 Zr\n0.815563 0.163854 0.912318 S\n0.184439 0.836147 0.087683 S\n0.316518 0.264735 0.552472 S\n0.683483 0.735266 0.447530 S\n0.437618 0.867340 0.177640 O\n0.562384 0.132661 0.822361 O\n0.721331 0.175565 0.072974 O\n0.278670 0.824436 0.927027 O\n0.529162 0.197533 0.451117 O\n0.470839 0.802468 0.548884 O\n0.105118 0.278006 0.455508 O\n0.894884 0.721995 0.544493 O\n0.555589 0.538546 0.337471 O\n0.186180 0.109022 0.624116 O\n0.889533 -0.030321 0.851498 O\n0.444413 0.461455 0.662530 O\n-0.037517 0.668236 0.092325 O\n0.037517 0.331765 0.907676 O\n-0.075567 0.429859 0.290781 O\n0.075567 0.570142 0.709220 O\n0.813821 0.890979 0.375885 O\n0.110468 0.030322 0.148503 O\n",
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{
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"created_at": "2022-09-04T14:35:59.627635Z",
"updated_at": "2022-09-04T14:35:59.627656Z",
"structure_string": "Pd1 N2 Cl4\n1.0\n-0.000000 0.000000 3.342957\n6.624151 0.000000 0.000000\n0.000000 6.624151 0.000000\nPd N Cl\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n-0.000000 0.242999 0.242999 Cl\n-0.000000 0.757001 0.757001 Cl\n-0.000000 0.757001 0.242999 Cl\n-0.000000 0.242999 0.757001 Cl\n",
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{
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"created_at": "2022-09-04T14:35:47.209021Z",
"updated_at": "2022-09-04T14:35:47.209048Z",
"structure_string": "Na2 Be2 Sn1\n1.0\n-1.536378 1.536378 10.275733\n1.536378 -1.536378 10.275733\n1.536378 1.536378 -10.275733\nNa Be Sn\n2 2 1\ndirect\n0.621683 0.621683 0.000000 Na\n0.378317 0.378317 0.000000 Na\n0.750001 0.250000 0.500001 Be\n0.250000 0.750001 0.500001 Be\n0.000000 0.000000 0.000000 Sn\n",
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{
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"created_at": "2022-09-04T14:38:26.292913Z",
"updated_at": "2022-09-04T14:38:26.292940Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n5.556827 -0.000335 0.000155\n0.000520 7.498127 -2.554075\n-0.000244 -0.501815 7.816792\nLi V Si O\n4 4 4 16\ndirect\n0.833424 0.972410 0.076309 Li\n0.166577 0.972409 0.576307 Li\n0.338703 0.528870 0.337530 Li\n0.661299 0.528870 0.837530 Li\n0.665172 0.831195 0.648222 V\n0.843748 0.405701 0.442512 V\n0.334829 0.831194 0.148221 V\n0.156255 0.405700 0.942511 V\n0.162987 0.733761 0.790761 Si\n0.837014 0.733761 0.290762 Si\n0.347007 0.244251 0.524780 Si\n0.652995 0.244249 0.024780 Si\n0.818109 0.379300 0.956002 O\n0.181894 0.379300 0.456002 O\n0.306469 0.597335 0.874897 O\n0.693533 0.597335 0.374898 O\n0.228704 0.223279 0.708267 O\n0.771298 0.223280 0.208267 O\n0.887794 0.662596 0.713929 O\n0.850701 0.914000 0.487546 O\n0.318592 0.773593 0.632367 O\n0.681409 0.773592 0.132368 O\n0.611662 0.342083 0.581016 O\n0.388340 0.342082 0.081016 O\n0.340079 0.030440 0.379674 O\n0.149300 0.913999 -0.012455 O\n0.112207 0.662596 0.213929 O\n0.659922 0.030440 0.879675 O\n",
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"formula_full": "Li4 V4 Si4 O16",
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}
]
}