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{
"id": "jvasp-50083",
"created_at": "2022-09-04T14:37:11.156284Z",
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"structure_string": "Li1 Bi1 B2 O5\n1.0\n2.952652 4.456549 -0.149702\n-2.952652 4.456549 0.149702\n-0.571951 0.000000 3.869989\nLi Bi B O\n1 1 2 5\ndirect\n0.592005 0.592005 0.500000 Li\n0.024978 0.024978 0.000000 Bi\n0.127743 0.487742 0.642395 B\n0.487742 0.127742 0.357605 B\n0.213882 0.695367 0.588215 O\n0.490722 0.930943 0.161820 O\n0.243752 0.243752 0.500000 O\n0.930943 0.490722 0.838180 O\n0.695367 0.213881 0.411785 O\n",
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{
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"structure_string": "Ca6 Mn4 O14\n1.0\n5.182445 0.000000 -1.409989\n0.000000 5.257465 0.000000\n-0.085008 -0.000000 9.916639\nCa Mn O\n6 4 14\ndirect\n0.553158 0.750001 0.629304 Ca\n0.923854 0.750001 0.370696 Ca\n0.076145 0.250000 0.629304 Ca\n0.446841 0.250000 0.370696 Ca\n0.744380 0.750001 -0.000000 Ca\n0.255619 0.250000 -0.000000 Ca\n0.150212 0.750001 0.802560 Mn\n0.849787 0.250000 0.197439 Mn\n0.652347 0.250000 0.802560 Mn\n0.347652 0.750001 0.197440 Mn\n0.113351 0.500000 0.226702 O\n0.886648 0.000000 0.773298 O\n0.108627 0.750001 0.606759 O\n0.113351 0.000000 0.226702 O\n0.886648 0.500000 0.773298 O\n0.417240 0.000000 0.834481 O\n0.582759 0.500000 0.165519 O\n0.582759 0.000000 0.165519 O\n0.417240 0.500000 0.834481 O\n0.498131 0.250000 0.606759 O\n0.891372 0.250000 0.393241 O\n0.501868 0.750001 0.393241 O\n0.826016 0.250000 -0.000000 O\n0.173983 0.750001 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:33.426213Z",
"updated_at": "2022-09-04T14:36:33.426225Z",
"structure_string": "Ti4 Zn2 O8\n1.0\n6.082440 -0.014607 -0.095161\n3.028569 5.274851 -0.095161\n2.959303 1.708555 4.832522\nTi Zn O\n4 2 8\ndirect\n0.995057 0.995056 0.004944 Ti\n0.254943 0.254943 0.245057 Ti\n0.625000 0.624999 0.125000 Ti\n0.625000 0.624999 0.625000 Ti\n0.125000 0.624999 0.625000 Zn\n0.625000 0.124999 0.625000 Zn\n0.386042 0.386041 0.371678 O\n0.383683 0.872120 0.372098 O\n0.386042 0.386041 0.856240 O\n0.872121 0.383682 0.372098 O\n0.377880 0.866316 0.877902 O\n0.866317 0.377878 0.877902 O\n0.863959 0.863957 0.393760 O\n0.863959 0.863957 0.878322 O\n",
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"spacegroup": 74
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{
"id": "jvasp-55357",
"created_at": "2022-09-04T14:37:03.056356Z",
"updated_at": "2022-09-04T14:37:03.056388Z",
"structure_string": "Tm4 V4 O14\n1.0\n6.100012 -0.000000 3.521844\n2.033337 5.751146 3.521844\n-0.000000 -0.000000 7.043686\nTm V O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.000000 -0.000000 Tm\n0.000000 0.500000 -0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 -0.000001 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.168879 0.168879 0.581121 O\n0.168879 0.581121 0.168879 O\n0.581121 0.168879 0.581121 O\n0.875000 0.875001 0.874999 O\n0.418879 0.418879 0.831121 O\n0.831121 0.418879 0.418879 O\n0.418879 0.831121 0.418879 O\n0.831121 0.418879 0.831120 O\n0.418879 0.831121 0.831120 O\n0.581121 0.581121 0.168879 O\n0.831121 0.831121 0.418878 O\n0.125000 0.125000 0.125000 O\n0.581121 0.168879 0.168879 O\n0.168879 0.581121 0.581120 O\n",
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"elements": [
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{
"id": "jvasp-27717",
"created_at": "2022-09-04T14:38:16.366825Z",
"updated_at": "2022-09-04T14:38:16.366860Z",
"structure_string": "Mg2 Fe2 Ge4 O12\n1.0\n5.091518 -0.248802 0.869760\n0.986275 6.539438 0.651797\n-0.355296 0.004608 6.635930\nMg Fe Ge O\n2 2 4 12\ndirect\n0.750000 0.272324 0.727677 Mg\n0.250001 0.727677 0.272324 Mg\n0.750001 0.918898 0.081102 Fe\n0.249999 0.081103 0.918898 Fe\n0.787609 0.402282 0.204263 Ge\n0.712392 0.795738 0.597719 Ge\n0.212391 0.597719 0.795737 Ge\n0.287609 0.204263 0.402281 Ge\n0.636136 0.975699 0.783401 O\n0.863865 0.216600 0.024302 O\n0.613710 0.634498 0.137785 O\n0.886292 0.862216 0.365502 O\n0.386291 0.365503 0.862215 O\n0.897263 0.565922 0.706426 O\n0.102738 0.434079 0.293575 O\n0.397263 0.706426 0.565921 O\n0.136135 0.783401 0.975698 O\n0.602738 0.293575 0.434079 O\n0.113709 0.137785 0.634498 O\n0.363865 0.024302 0.216599 O\n",
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"density": 4.751900884388879,
"density_atomic": 0.08903007348882234,
"volume": 224.64319320719179,
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"formula_full": "Mg2 Fe2 Ge4 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 15
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{
"id": "jvasp-95048",
"created_at": "2022-09-04T14:36:00.538027Z",
"updated_at": "2022-09-04T14:36:00.538048Z",
"structure_string": "Pt2 O4\n1.0\n0.000000 0.000000 3.231736\n4.566570 -0.000000 0.000000\n-0.000000 4.566570 0.000000\nPt O\n2 4\ndirect\n0.500001 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500001 0.190486 0.809514 O\n0.500001 0.809514 0.190486 O\n0.000000 0.309514 0.309514 O\n0.000000 0.690486 0.690486 O\n",
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},
{
"id": "jvasp-108054",
"created_at": "2022-09-04T14:36:10.424191Z",
"updated_at": "2022-09-04T14:36:10.424221Z",
"structure_string": "V1 Ni3\n1.0\n2.502934 -0.000000 0.000000\n0.000000 2.502934 0.000000\n-0.000000 -0.000000 7.171947\nV Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.499999 0.499999 0.745675 Ni\n0.000000 0.000000 0.500000 Ni\n0.499999 0.499999 0.254326 Ni\n",
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{
"id": "jvasp-36364",
"created_at": "2022-09-04T14:37:15.817442Z",
"updated_at": "2022-09-04T14:37:15.817453Z",
"structure_string": "Pd1 N1\n1.0\n1.499568 -2.597328 -0.000000\n1.499568 2.597328 -0.000000\n-0.000000 -0.000000 2.883928\nPd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.333333 0.666668 0.500000 N\n",
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{
"id": "jvasp-12517",
"created_at": "2022-09-04T14:38:15.601975Z",
"updated_at": "2022-09-04T14:38:15.601983Z",
"structure_string": "Bi1 B3 O6\n1.0\n4.275199 0.070344 0.928763\n1.437654 4.026838 0.928763\n-0.037272 -0.026731 6.551424\nBi B O\n1 3 6\ndirect\n0.015987 -0.015987 -0.000000 Bi\n0.698252 0.301748 0.499999 B\n0.799888 0.698141 0.694960 B\n0.301858 0.200112 0.305039 B\n0.915277 0.505745 0.876585 O\n0.382510 0.332657 0.445858 O\n0.667343 0.617490 0.554140 O\n0.791444 0.026032 0.681251 O\n0.973967 0.208556 0.318747 O\n0.494254 0.084723 0.123414 O\n",
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{
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"created_at": "2022-09-04T14:37:08.078128Z",
"updated_at": "2022-09-04T14:37:08.078163Z",
"structure_string": "Mn6 O5 F7\n1.0\n5.531789 0.003745 -0.013254\n1.705158 5.392553 -0.002147\n1.933444 1.464303 6.775890\nMn O F\n6 5 7\ndirect\n0.708291 0.673004 0.837693 Mn\n0.310838 0.366972 0.669100 Mn\n0.672630 0.616166 0.310500 Mn\n0.302606 0.336620 0.173038 Mn\n0.996332 0.996633 0.495539 Mn\n0.007180 0.007470 0.000995 Mn\n0.963746 0.330397 0.328850 O\n0.411477 0.430780 0.379172 O\n0.797536 0.767504 0.032969 O\n0.216380 0.248094 0.958484 O\n0.033720 0.666798 0.667614 O\n0.388279 0.936379 0.330904 F\n0.909988 0.865314 0.306551 F\n0.595285 0.569563 0.638457 F\n0.068973 0.120917 0.697205 F\n0.605763 0.056231 0.666192 F\n0.333820 0.715308 0.986163 F\n0.677153 0.295849 0.020574 F\n",
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{
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"created_at": "2022-09-04T14:38:33.943146Z",
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"structure_string": "Yb4 Ge4 O14\n1.0\n6.100303 0.000000 3.522012\n2.033434 5.751421 3.522012\n0.000000 0.000000 7.044023\nYb Ge O\n4 4 14\ndirect\n0.499999 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.499999 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 -0.000000 0.000000 Ge\n-0.000000 0.500000 0.000000 Ge\n0.674389 0.075611 0.075611 O\n0.075611 0.075611 0.674389 O\n0.674389 0.674389 0.075611 O\n0.325610 0.924389 0.924389 O\n0.375000 0.375000 0.375000 O\n0.674389 0.075611 0.674389 O\n0.075610 0.674389 0.075611 O\n0.325610 0.924389 0.325611 O\n0.325610 0.325611 0.924389 O\n0.924388 0.924389 0.325611 O\n0.924389 0.325611 0.924389 O\n0.075610 0.674389 0.674389 O\n0.624999 0.625000 0.625000 O\n0.924389 0.325611 0.325611 O\n",
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{
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"created_at": "2022-09-04T14:38:46.754144Z",
"updated_at": "2022-09-04T14:38:46.754163Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n5.836435 0.042010 2.430111\n0.738866 6.259239 0.661606\n0.030158 0.076222 6.787829\nLi Fe P O\n2 2 4 14\ndirect\n0.705164 0.011892 0.825341 Li\n0.294836 0.988112 0.174659 Li\n0.097349 0.649995 0.774565 Fe\n0.902652 0.350010 0.225436 Fe\n0.347732 0.396898 0.347552 P\n0.652268 0.603106 0.652449 P\n0.213634 0.133475 0.767877 P\n0.786367 0.866530 0.232123 P\n0.950929 0.668793 0.120262 O\n0.400160 0.584030 0.794844 O\n0.599841 0.415974 0.205156 O\n0.778888 0.397703 0.539472 O\n0.635438 0.785834 0.470923 O\n0.049071 0.331213 0.879739 O\n0.383274 0.039347 0.867494 O\n0.364563 0.214171 0.529077 O\n0.935388 0.028981 0.252685 O\n0.779184 0.691755 0.769628 O\n0.616726 0.960659 0.132507 O\n0.221112 0.602302 0.460529 O\n0.220816 0.308250 0.230372 O\n0.064612 0.971024 0.747315 O\n",
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],
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}
]
}