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{
"id": "jvasp-90343",
"created_at": "2022-09-04T14:35:59.203136Z",
"updated_at": "2022-09-04T14:35:59.203156Z",
"structure_string": "Ru1 N6 Cl2\n1.0\n-3.971560 -3.971560 0.000000\n-3.971560 0.000000 -3.971560\n-0.000000 -3.971560 -3.971560\nRu N Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ru\n0.755045 0.244955 0.244955 N\n0.755045 0.244955 0.755045 N\n0.755045 0.755045 0.244955 N\n0.244955 0.755045 0.755045 N\n0.244955 0.755045 0.244955 N\n0.244955 0.244955 0.755045 N\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750000 Cl\n",
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{
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"structure_string": "Li2 Sn12 Pd4\n1.0\n6.769557 0.000000 0.000000\n0.000000 6.769557 0.000000\n0.000000 0.000000 8.765435\nLi Sn Pd\n2 12 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.841552 0.658449 0.679065 Sn\n0.841552 0.658449 0.320935 Sn\n0.658449 0.158449 0.679065 Sn\n0.336301 0.163699 0.000000 Sn\n0.163699 0.663699 0.000000 Sn\n0.663699 0.836301 0.000000 Sn\n0.158449 0.341552 0.320935 Sn\n0.158449 0.341552 0.679065 Sn\n0.341552 0.841552 0.320935 Sn\n0.658449 0.158449 0.320935 Sn\n0.836301 0.336301 0.000000 Sn\n0.341552 0.841552 0.679065 Sn\n0.000000 0.000000 0.182662 Pd\n0.500000 0.500000 0.182662 Pd\n0.500000 0.500000 0.817339 Pd\n0.000000 0.000000 0.817339 Pd\n",
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{
"id": "jvasp-90208",
"created_at": "2022-09-04T14:35:49.181350Z",
"updated_at": "2022-09-04T14:35:49.181381Z",
"structure_string": "Er6 Mn1 Te2\n1.0\n0.000000 0.000000 -3.994996\n-4.082046 -7.070312 0.000000\n-4.082458 7.070549 0.000000\nEr Mn Te\n6 1 2\ndirect\n0.500000 0.611173 0.000000 Er\n0.500000 0.388851 0.388860 Er\n0.500000 -0.000008 0.611141 Er\n0.000000 0.233215 0.000000 Er\n0.000000 0.766729 0.766701 Er\n0.000000 0.000028 0.233299 Er\n0.500000 0.999911 0.000001 Mn\n0.000000 0.333355 0.666709 Te\n0.000000 0.666647 0.333292 Te\n",
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"formula_anonymous": "AB2C6",
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"spacegroup": 189
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{
"id": "jvasp-22593",
"created_at": "2022-09-04T14:36:00.044808Z",
"updated_at": "2022-09-04T14:36:00.044827Z",
"structure_string": "K2 Mn1 F6\n1.0\n4.941687 0.000000 2.853085\n1.647229 4.659068 2.853085\n0.000000 0.000000 5.706170\nK Mn F\n2 1 6\ndirect\n0.750000 0.750000 0.749998 K\n0.250000 0.250000 0.249999 K\n0.000000 0.000000 0.000000 Mn\n0.226452 0.773548 0.773547 F\n0.226452 0.773548 0.226451 F\n0.773548 0.226452 0.773547 F\n0.773548 0.226452 0.226451 F\n0.773548 0.773548 0.226451 F\n0.226452 0.226452 0.773547 F\n",
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"volume": 131.37689383206802,
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{
"id": "jvasp-90055",
"created_at": "2022-09-04T14:35:47.532601Z",
"updated_at": "2022-09-04T14:35:47.532620Z",
"structure_string": "Se1 N2 Cl6\n1.0\n-4.715871 -4.715871 0.000000\n-4.715871 -0.000000 -4.715871\n-0.000000 -4.715871 -4.715871\nSe N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Se\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.751167 0.248832 0.248832 Cl\n0.751167 0.248832 0.751167 Cl\n0.751167 0.751167 0.248832 Cl\n0.248832 0.751167 0.751167 Cl\n0.248832 0.751167 0.248832 Cl\n0.248832 0.248832 0.751167 Cl\n",
"nsites": 9,
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{
"id": "jvasp-16349",
"created_at": "2022-09-04T14:38:28.213626Z",
"updated_at": "2022-09-04T14:38:28.213644Z",
"structure_string": "Ho2 Ge6 Pd1\n1.0\n3.959094 0.000000 -0.741313\n0.000000 4.092342 0.000000\n0.046400 0.000000 11.190539\nHo Ge Pd\n2 6 1\ndirect\n0.338140 0.000000 0.676279 Ho\n0.998290 0.000000 0.996580 Ho\n0.212215 0.500000 0.424431 Ge\n0.097815 0.500000 0.195630 Ge\n0.890055 0.500000 0.780113 Ge\n0.713729 0.000000 0.427460 Ge\n0.599627 0.000000 0.199255 Ge\n0.462102 0.500000 0.924207 Ge\n0.780022 0.500000 0.560047 Pd\n",
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"volume_molar": 12.14127169270565,
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{
"id": "jvasp-20968",
"created_at": "2022-09-04T14:38:19.281328Z",
"updated_at": "2022-09-04T14:38:19.281354Z",
"structure_string": "Sr4 N8 O24\n1.0\n7.776440 0.000000 0.000000\n0.000000 7.776440 0.000000\n0.000000 0.000000 7.776440\nSr N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.843541 0.156459 0.656459 N\n0.156459 0.656459 0.843541 N\n0.656459 0.656459 0.656459 N\n0.656459 0.843541 0.156459 N\n0.156459 0.843541 0.343541 N\n0.343541 0.156459 0.843541 N\n0.343541 0.343541 0.343541 N\n0.843541 0.343541 0.156459 N\n0.781573 0.023664 0.727778 O\n0.281573 0.023664 0.772222 O\n0.023664 0.772222 0.281573 O\n0.781573 0.476336 0.227778 O\n0.718427 0.523664 0.727778 O\n0.523664 0.727778 0.718427 O\n0.727778 0.718427 0.523664 O\n0.227778 0.718427 0.976336 O\n0.727778 0.781573 0.023664 O\n0.772222 0.218427 0.523664 O\n0.523664 0.772222 0.218427 O\n0.476336 0.272222 0.281573 O\n0.718427 0.976336 0.227778 O\n0.976336 0.227778 0.718427 O\n0.218427 0.523664 0.772222 O\n0.281573 0.476336 0.272222 O\n0.976336 0.272222 0.218427 O\n0.272222 0.281573 0.476336 O\n0.272222 0.218427 0.976336 O\n0.227778 0.781573 0.476336 O\n0.218427 0.976336 0.272222 O\n0.772222 0.281573 0.023664 O\n0.023664 0.727778 0.781573 O\n0.476336 0.227778 0.781573 O\n",
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"volume": 470.264804444706,
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{
"id": "jvasp-16409",
"created_at": "2022-09-04T14:38:30.566068Z",
"updated_at": "2022-09-04T14:38:30.566105Z",
"structure_string": "K2 Ir1 F6\n1.0\n2.896476 -5.016843 -0.000000\n2.896476 5.016843 0.000000\n0.000000 0.000000 4.553883\nK Ir F\n2 1 6\ndirect\n0.666668 0.333334 0.284647 K\n0.333334 0.666668 0.715352 K\n0.000000 0.000000 0.000000 Ir\n0.834179 0.668356 0.767899 F\n0.331645 0.165822 0.767899 F\n0.834179 0.165823 0.767899 F\n0.165822 0.331645 0.232100 F\n0.668356 0.834179 0.232100 F\n0.165823 0.834179 0.232100 F\n",
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{
"id": "jvasp-17509",
"created_at": "2022-09-04T14:38:32.055552Z",
"updated_at": "2022-09-04T14:38:32.055577Z",
"structure_string": "Rh1 O2 F6\n1.0\n4.991090 0.001890 -0.028052\n-0.942333 5.007116 -0.043112\n-1.118663 -0.362798 5.033481\nRh O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Rh\n0.409620 0.546955 0.531036 O\n0.590382 0.453045 0.468964 O\n0.805332 0.670832 0.072662 F\n0.664543 0.069816 0.796387 F\n0.335459 0.930185 0.203614 F\n0.062295 0.832670 0.697491 F\n0.937706 0.167330 0.302510 F\n0.194669 0.329169 0.927339 F\n",
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{
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"created_at": "2022-09-04T14:38:30.709155Z",
"updated_at": "2022-09-04T14:38:30.709176Z",
"structure_string": "Mn2 C4 O12\n1.0\n3.970384 0.000129 -2.292399\n1.324050 10.029223 2.294085\n0.000041 0.000519 4.584643\nMn C O\n2 4 12\ndirect\n0.749991 0.749998 0.500012 Mn\n0.250008 0.250001 0.499989 Mn\n0.880724 0.357735 0.761411 C\n0.380709 0.857730 0.761436 C\n0.619289 0.142269 0.238563 C\n0.119277 0.642265 0.238590 C\n0.855354 0.640291 0.943126 O\n0.355371 0.140297 0.943102 O\n0.087737 0.640293 0.504485 O\n0.587751 0.140298 0.504460 O\n0.412247 0.859702 0.495540 O\n0.144646 0.359708 0.056876 O\n0.644627 0.859702 0.056897 O\n0.583291 0.359700 0.727901 O\n0.416705 0.640299 0.272099 O\n0.916724 0.140304 0.272076 O\n0.912261 0.359707 0.495513 O\n0.083278 0.859696 0.727924 O\n",
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{
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"created_at": "2022-09-04T14:38:19.508183Z",
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"structure_string": "Na2 Th1 F6\n1.0\n2.992319 -5.182849 0.000000\n2.992319 5.182849 -0.000000\n0.000000 0.000000 3.848524\nNa Th F\n2 1 6\ndirect\n0.666667 0.333333 0.420333 Na\n0.333333 0.666667 0.579665 Na\n0.000000 0.000000 0.000000 Th\n0.253263 0.253263 0.499999 F\n0.746738 -0.000000 0.499999 F\n-0.000000 0.746738 0.499999 F\n-0.000000 0.382563 0.000000 F\n0.382563 -0.000000 0.000000 F\n0.617437 0.617437 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:34.930432Z",
"updated_at": "2022-09-04T14:38:34.930459Z",
"structure_string": "Rb2 Te4 O12\n1.0\n7.416520 -0.000000 0.000000\n3.708260 6.422896 0.000000\n3.708260 2.140965 6.055564\nRb Te O\n2 4 12\ndirect\n0.375000 0.375001 0.375000 Rb\n0.625000 0.625001 0.625000 Rb\n0.500000 0.000000 0.000000 Te\n-0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n-0.000000 0.000000 0.500000 Te\n0.070410 0.070411 0.679589 O\n0.070410 0.679590 0.070410 O\n0.070410 0.679591 0.679589 O\n0.929589 0.320411 0.929589 O\n0.679590 0.070410 0.070410 O\n0.929590 0.320411 0.320410 O\n0.320410 0.929591 0.929589 O\n0.679590 0.679590 0.070410 O\n0.679590 0.070411 0.679589 O\n0.929589 0.929591 0.320410 O\n0.320410 0.320411 0.929589 O\n0.320410 0.929591 0.320410 O\n",
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"volume": 288.46004080949166,
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"formula_full": "Rb2 Te4 O12",
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]
}