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{
"id": "jvasp-102085",
"created_at": "2022-09-04T14:36:31.857219Z",
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"structure_string": "Rb2 Tl1 Bi1 F6\n1.0\n5.970316 -0.000000 3.446964\n1.990106 5.628868 3.446964\n0.000000 0.000000 6.893927\nRb Tl Bi F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Bi\n0.767607 0.232394 0.232393 F\n0.232394 0.232394 0.767606 F\n0.232394 0.767607 0.767606 F\n0.232394 0.767607 0.232393 F\n0.767607 0.232394 0.767606 F\n0.767607 0.767607 0.232392 F\n",
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{
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"structure_string": "Xe4\n1.0\n4.343207 -0.000000 0.000000\n-2.171603 3.761328 0.000000\n-0.000000 -0.000000 14.180945\nXe\n4\ndirect\n0.000000 0.000000 0.000000 Xe\n0.333334 0.666667 0.250000 Xe\n0.000000 0.000000 0.500000 Xe\n0.666667 0.333334 0.750000 Xe\n",
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{
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"updated_at": "2022-09-04T14:38:54.574251Z",
"structure_string": "Rb1 Bi5\n1.0\n2.215214 -3.836871 -0.000000\n2.215214 3.836871 0.000000\n0.000000 -0.000000 13.627699\nRb Bi\n1 5\ndirect\n0.000000 0.000000 0.249975 Rb\n0.666666 0.333333 0.043274 Bi\n0.666666 0.333333 0.593372 Bi\n0.333333 0.666666 0.456718 Bi\n0.333333 0.666666 0.906661 Bi\n0.000000 0.000000 0.750000 Bi\n",
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"elements": [
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{
"id": "jvasp-10216",
"created_at": "2022-09-04T14:38:16.033309Z",
"updated_at": "2022-09-04T14:38:16.033331Z",
"structure_string": "Ag4 P8\n1.0\n0.000000 6.238939 0.005247\n5.117905 0.000000 0.000000\n0.000000 -3.133812 -7.257717\nAg P\n4 8\ndirect\n0.141474 0.953114 0.900411 Ag\n0.858527 0.453114 0.599589 Ag\n0.858527 0.046885 0.099589 Ag\n0.141473 0.546885 0.400411 Ag\n0.409736 0.596185 0.082929 P\n0.590264 0.096186 0.417071 P\n0.590264 0.403814 0.917071 P\n0.409737 0.903813 0.582929 P\n0.274488 0.229945 0.699634 P\n0.725513 0.729945 0.800366 P\n0.725513 0.770054 0.300366 P\n0.274488 0.270054 0.199634 P\n",
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{
"id": "jvasp-63909",
"created_at": "2022-09-04T14:35:42.112747Z",
"updated_at": "2022-09-04T14:35:42.112764Z",
"structure_string": "Ba4 Co1 Sb1\n1.0\n-0.000000 4.874481 4.874481\n4.874481 -0.000000 4.874481\n4.874481 4.874481 0.000000\nBa Co Sb\n4 1 1\ndirect\n0.124371 0.625209 0.625209 Ba\n0.625209 0.625209 0.625209 Ba\n0.625209 0.124371 0.625209 Ba\n0.625209 0.625209 0.124371 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
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"spacegroup": 216
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{
"id": "jvasp-46859",
"created_at": "2022-09-04T14:38:04.170474Z",
"updated_at": "2022-09-04T14:38:04.170498Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.921054 -0.000000 0.000000\n-0.000000 5.341697 0.000000\n0.000000 0.000000 8.812052\nLi Mn F\n4 4 12\ndirect\n0.000000 0.250000 0.200353 Li\n0.000000 0.750000 0.799647 Li\n0.500000 0.750000 0.700353 Li\n0.500000 0.250000 0.299647 Li\n0.000000 0.750000 0.403010 Mn\n0.000000 0.250000 0.596989 Mn\n0.500000 0.750000 0.096989 Mn\n0.500000 0.250000 0.903010 Mn\n0.250000 0.046568 0.750000 F\n0.250000 0.546568 0.250000 F\n0.278934 0.588081 0.908787 F\n0.278934 0.088081 0.091213 F\n0.721065 0.911920 0.908787 F\n0.778933 0.411920 0.408787 F\n0.749999 0.953433 0.250000 F\n0.749999 0.453432 0.750000 F\n0.221066 0.088081 0.408787 F\n0.778933 0.911920 0.591213 F\n0.721065 0.411920 0.091213 F\n0.221066 0.588081 0.591213 F\n",
"nsites": 20,
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"elements": [
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"volume": 231.64046688520625,
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"formula_full": "Li4 Mn4 F12",
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{
"id": "jvasp-12340",
"created_at": "2022-09-04T14:38:15.818844Z",
"updated_at": "2022-09-04T14:38:15.818873Z",
"structure_string": "Tb1 Mn6 Sn6\n1.0\n2.730517 -4.729394 0.000000\n2.730517 4.729394 -0.000000\n0.000000 0.000000 8.968297\nTb Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000001 0.500000 0.751559 Mn\n0.500000 0.000001 0.751559 Mn\n0.500001 0.500001 0.751559 Mn\n0.000001 0.500000 0.248442 Mn\n0.500000 0.000001 0.248442 Mn\n0.500001 0.500001 0.248442 Mn\n0.333334 0.666667 0.000000 Sn\n0.666667 0.333334 0.000000 Sn\n0.333334 0.666667 0.500000 Sn\n0.666667 0.333334 0.500000 Sn\n0.000000 0.000000 0.666983 Sn\n0.000000 0.000000 0.333017 Sn\n",
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"formula_full": "Tb1 Mn6 Sn6",
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{
"id": "jvasp-42793",
"created_at": "2022-09-04T14:37:30.295937Z",
"updated_at": "2022-09-04T14:37:30.295962Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.381310 -0.000704 -4.876545\n0.000000 5.420398 0.000560\n4.381310 0.000704 4.876545\nMn O F\n8 14 2\ndirect\n0.373586 0.352764 0.116043 Mn\n0.115707 0.668271 0.374194 Mn\n0.133956 0.852763 0.876414 Mn\n0.875806 0.168272 0.134292 Mn\n0.381832 0.128290 0.632819 Mn\n0.623351 0.854242 0.371150 Mn\n0.617181 0.628290 0.868168 Mn\n0.878850 0.354242 0.626649 Mn\n0.825220 0.385946 0.906037 O\n0.929572 0.390984 0.347787 O\n0.671632 0.610381 0.591188 O\n0.418901 0.380792 0.840604 O\n0.902213 0.890984 0.320428 O\n0.658812 0.110381 0.578368 O\n0.409395 0.880792 0.831099 O\n0.078629 0.618541 0.656825 O\n0.097404 0.111565 0.675995 O\n0.343962 0.885946 0.424780 O\n0.574006 0.611566 0.152595 O\n0.173117 0.618302 0.095467 O\n0.154533 0.118302 0.076883 O\n0.593175 0.118542 0.171371 O\n0.332569 0.379921 0.413413 F\n0.836587 0.879922 0.917431 F\n",
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{
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"structure_string": "K2 Sn2 Se4\n1.0\n6.470590 0.208293 -1.802709\n-3.687703 5.320974 -1.802709\n-0.104834 -0.208293 6.716197\nK Sn Se\n2 2 4\ndirect\n0.691718 0.691717 -0.000001 K\n0.191718 0.191718 -0.000000 K\n0.691776 0.191776 0.500000 Sn\n0.191776 0.691776 0.500000 Sn\n0.755357 0.255357 0.127208 Se\n0.128150 0.628149 0.872792 Se\n0.255358 0.128150 0.500000 Se\n0.628150 0.755357 0.500000 Se\n",
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{
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{
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"created_at": "2022-09-04T14:36:07.842439Z",
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"structure_string": "Mn8 O14 F2\n1.0\n4.381567 -5.412545 -0.019271\n4.381567 5.412545 -0.019271\n-0.021161 0.000000 4.883059\nMn O F\n8 14 2\ndirect\n0.426938 0.064540 0.272163 Mn\n0.073547 0.427975 0.741890 Mn\n0.935235 0.079906 0.232823 Mn\n0.579906 0.435236 0.732823 Mn\n0.421333 0.584563 0.253964 Mn\n0.084563 0.921333 0.753964 Mn\n0.564540 0.926938 0.772164 Mn\n0.927976 0.573547 0.241890 Mn\n0.941196 0.826694 0.073918 O\n0.825319 0.440878 0.910839 O\n0.940878 0.325319 0.410839 O\n0.439775 0.826442 0.434788 O\n0.326443 0.939774 0.934788 O\n0.673398 0.559692 0.412375 O\n0.556544 0.673949 0.923801 O\n0.058153 0.673178 0.575117 O\n0.560100 0.173541 0.591025 O\n0.173178 0.558153 0.075117 O\n0.673540 0.060100 0.091025 O\n0.173948 0.056544 0.423801 O\n0.059692 0.173397 0.912375 O\n0.326694 0.441196 0.573918 O\n0.438074 0.319040 0.077298 F\n0.819041 0.938074 0.577298 F\n",
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}