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{
"id": "jvasp-105814",
"created_at": "2022-09-04T14:36:03.751025Z",
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"structure_string": "Mg3 As3\n1.0\n5.065665 0.006316 0.318944\n0.299889 5.056785 0.318944\n0.006693 0.006316 5.075692\nMg As\n3 3\ndirect\n0.137211 0.862788 0.499999 Mg\n0.499999 0.137212 0.862788 Mg\n0.862788 0.500000 0.137211 Mg\n0.000000 0.000000 0.000000 As\n0.363448 0.363448 0.363448 As\n0.636551 0.636552 0.636551 As\n",
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"structure_string": "Mg2 Fe2 F8\n1.0\n4.975963 0.005466 -0.010760\n-0.005495 4.976141 0.000839\n-2.473300 -2.491656 5.512365\nMg Fe F\n2 2 8\ndirect\n0.215247 0.214256 0.431920 Mg\n0.782440 0.781442 0.566290 Mg\n0.466764 -0.034192 -0.065033 Fe\n0.030909 0.529920 0.063245 Fe\n0.424292 0.475935 0.345495 F\n0.097965 0.145977 0.831689 F\n0.732315 0.682362 0.831725 F\n0.130554 0.572405 0.652714 F\n0.919799 0.866111 0.345484 F\n0.314383 0.898698 0.166498 F\n0.850730 0.264396 0.166515 F\n0.520720 0.076887 0.652710 F\n",
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{
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"updated_at": "2022-09-04T14:36:32.055342Z",
"structure_string": "Rb2 Pd1 C2\n1.0\n2.680232 -4.642300 0.000000\n2.680232 4.642300 -0.000000\n0.000000 -0.000000 5.288856\nRb Pd C\n2 1 2\ndirect\n0.333333 0.666667 0.283941 Rb\n0.666667 0.333333 0.716060 Rb\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.619612 C\n0.000000 0.000000 0.380389 C\n",
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{
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"created_at": "2022-09-04T14:36:56.203263Z",
"updated_at": "2022-09-04T14:36:56.203290Z",
"structure_string": "Na3 Sr3 As3\n1.0\n3.911517 -6.774946 0.000000\n3.911517 6.774946 0.000000\n0.000000 0.000000 4.586336\nNa Sr As\n3 3 3\ndirect\n0.242088 0.000000 0.000000 Na\n0.000000 0.242088 0.000000 Na\n0.757913 0.757913 0.000000 Na\n0.415159 0.415159 0.500000 Sr\n0.584841 0.000000 0.500000 Sr\n0.000000 0.584841 0.500000 Sr\n0.333333 0.666667 0.000000 As\n0.000000 0.000000 0.500000 As\n0.666667 0.333333 0.000000 As\n",
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"formula_full": "Na3 Sr3 As3",
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},
{
"id": "jvasp-308",
"created_at": "2022-09-04T14:36:43.569462Z",
"updated_at": "2022-09-04T14:36:43.569483Z",
"structure_string": "Ti1 O2\n1.0\n2.749434 -0.075526 3.932156\n1.183018 2.483054 3.932156\n-0.123365 -0.075526 4.796459\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.261740 0.261736 0.261739 O\n0.738266 0.738258 0.738264 O\n",
"nsites": 3,
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"elements": [
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},
{
"id": "jvasp-8445",
"created_at": "2022-09-04T14:37:07.140290Z",
"updated_at": "2022-09-04T14:37:07.140313Z",
"structure_string": "Ga2 Fe1 S4\n1.0\n1.824438 -3.160021 0.000000\n1.824438 3.160021 -0.000000\n-0.000000 0.000000 12.255740\nGa Fe S\n2 1 4\ndirect\n0.333334 0.666667 0.213458 Ga\n0.666667 0.333334 0.786541 Ga\n0.000000 -0.000000 0.500000 Fe\n0.666667 0.333334 0.605103 S\n0.333334 0.666667 0.394896 S\n0.666667 0.333334 0.128551 S\n0.333334 0.666667 0.871449 S\n",
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"volume": 141.31511384562492,
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"formula_full": "Ga2 Fe1 S4",
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},
{
"id": "jvasp-108691",
"created_at": "2022-09-04T14:38:04.129806Z",
"updated_at": "2022-09-04T14:38:04.129832Z",
"structure_string": "Rb3 Dy1 F6\n1.0\n6.041636 0.146411 -3.306692\n-2.056910 5.682599 -3.306692\n-0.100087 -0.146411 6.886622\nRb Dy F\n3 1 6\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Dy\n-0.000000 0.310614 0.310614 F\n-0.000000 0.689387 0.689386 F\n0.310614 -0.000000 0.310614 F\n0.689386 -0.000000 0.689386 F\n0.229655 0.229655 0.000000 F\n0.770345 0.770345 0.000001 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.801833588096092,
"density_atomic": 0.04296386296221958,
"volume": 232.7537449040263,
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"formula_full": "Rb3 Dy1 F6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 139
},
{
"id": "jvasp-100928",
"created_at": "2022-09-04T14:36:40.362045Z",
"updated_at": "2022-09-04T14:36:40.362068Z",
"structure_string": "Rb2 Sc1 In1 F6\n1.0\n5.629603 -0.000000 3.250253\n1.876534 5.307641 3.250253\n-0.000000 -0.000000 6.500506\nRb Sc In F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 In\n0.779725 0.220275 0.220275 F\n0.220274 0.220275 0.779726 F\n0.220274 0.779725 0.779726 F\n0.220274 0.779725 0.220275 F\n0.779725 0.220275 0.779726 F\n0.779724 0.779725 0.220275 F\n",
"nsites": 10,
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"elements": [
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"volume": 194.23454526271794,
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"formula_full": "Rb2 Sc1 In1 F6",
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{
"id": "jvasp-12685",
"created_at": "2022-09-04T14:38:01.328940Z",
"updated_at": "2022-09-04T14:38:01.328968Z",
"structure_string": "Co2 H4 Se2 O10\n1.0\n5.109637 -0.039856 -1.590115\n-1.202008 4.966402 -1.590115\n0.003148 0.003970 7.582163\nCo H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.499999 0.000001 Co\n0.626123 0.034565 0.199466 H\n0.465434 0.873877 0.300535 H\n0.373878 0.965433 0.800535 H\n0.534566 0.126122 0.699466 H\n0.914743 0.585256 0.750001 Se\n0.085257 0.414743 0.250000 Se\n0.191803 0.289421 0.429404 O\n0.814190 0.243119 0.649570 O\n0.743120 0.314188 0.149570 O\n0.185811 0.756880 0.350431 O\n0.381141 0.118859 0.750000 O\n0.618859 0.881140 0.250001 O\n0.789422 0.691802 0.929405 O\n0.808197 0.710578 0.570596 O\n0.210579 0.308197 0.070596 O\n0.256881 0.685811 0.850430 O\n",
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],
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"volume": 192.11050910883887,
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"formula_full": "Co2 H4 Se2 O10",
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{
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"created_at": "2022-09-04T14:37:30.423328Z",
"updated_at": "2022-09-04T14:37:30.423347Z",
"structure_string": "Ba1 Na2 Mg1 P2 O8\n1.0\n2.679885 -4.641698 -0.000000\n2.679885 4.641698 -0.000000\n-0.000000 0.000000 6.980119\nBa Na Mg P O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666668 0.333334 0.178658 Na\n0.333334 0.666668 0.821342 Na\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.740879 P\n0.333334 0.666668 0.259121 P\n0.666668 0.333334 0.520542 O\n0.333334 0.666668 0.479458 O\n0.645929 0.822966 0.179568 O\n0.177036 0.354073 0.179568 O\n0.177037 0.822965 0.179568 O\n0.354073 0.177036 0.820432 O\n0.822966 0.645929 0.820432 O\n0.822965 0.177037 0.820432 O\n",
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{
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"created_at": "2022-09-04T14:37:46.713828Z",
"updated_at": "2022-09-04T14:37:46.713846Z",
"structure_string": "K4 Sn1 Sb2 F14\n1.0\n6.714871 -0.004058 -0.019419\n-3.202407 6.730780 -0.022452\n-0.210850 -0.473142 7.588216\nK Sn Sb F\n4 1 2 14\ndirect\n0.282538 0.553201 0.145083 K\n0.851913 0.730206 0.413268 K\n0.717461 0.446799 0.854918 K\n0.148087 0.269794 0.586733 K\n0.000000 0.000000 0.000000 Sn\n0.402764 0.817168 0.688530 Sb\n0.597235 0.182832 0.311470 Sb\n0.594710 0.426306 0.181543 F\n0.405290 0.573695 0.818457 F\n0.154751 0.142404 0.229612 F\n0.080186 0.626961 0.672128 F\n0.845248 0.857596 0.770389 F\n0.052630 0.764432 0.063378 F\n0.714551 0.886792 0.122511 F\n0.947370 0.235568 0.936623 F\n0.721362 0.057083 0.509819 F\n0.429082 0.657517 0.480987 F\n0.285449 0.113208 0.877490 F\n0.919813 0.373039 0.327873 F\n0.278638 0.942917 0.490182 F\n0.570918 0.342483 0.519014 F\n",
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{
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"structure_string": "Li3 V6 O3 F15\n1.0\n4.516938 -0.000134 -0.000083\n0.000250 8.581419 0.000022\n0.000268 4.290651 7.431857\nLi V O F\n3 6 3 15\ndirect\n0.501106 0.666669 0.666664 Li\n0.985558 0.000004 0.999996 Li\n0.472305 0.333337 0.333330 Li\n0.520222 0.315049 0.991907 V\n0.520222 0.693049 0.315042 V\n0.988644 0.339335 0.667074 V\n0.520222 0.991914 0.693041 V\n0.988648 0.993598 0.339328 V\n0.988646 0.667079 0.993590 V\n0.762125 0.882104 0.248507 O\n0.762125 0.869393 0.882097 O\n0.762126 0.248516 0.869384 O\n0.258213 0.441238 0.097398 F\n0.736245 0.225867 0.555649 F\n0.239827 0.108127 0.114195 F\n0.736245 0.218487 0.225860 F\n0.258212 0.461368 0.441230 F\n0.736245 0.555657 0.218481 F\n0.744192 0.888708 0.563770 F\n0.239828 0.777683 0.108119 F\n0.264214 0.445869 0.773157 F\n0.264212 0.773163 0.780971 F\n0.744193 0.563778 0.547519 F\n0.258214 0.097406 0.461362 F\n0.264214 0.780980 0.445860 F\n0.744191 0.547527 0.888700 F\n0.239827 0.114203 0.777674 F\n",
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}
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}