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{
"id": "jvasp-19071",
"created_at": "2022-09-04T14:36:35.606836Z",
"updated_at": "2022-09-04T14:36:35.606861Z",
"structure_string": "Sr2 Al8 O14\n1.0\n5.440274 -0.013744 1.287933\n1.212558 7.378766 2.822747\n-0.030023 0.000268 7.992714\nSr Al O\n2 8 14\ndirect\n0.750000 0.809646 0.190355 Sr\n0.250000 0.190356 0.809644 Sr\n0.705031 0.255040 0.081184 Al\n0.794969 0.918817 0.744960 Al\n0.294969 0.744961 0.918815 Al\n0.205031 0.081185 0.255040 Al\n0.735828 0.561723 0.681365 Al\n0.764172 0.318635 0.438278 Al\n0.264172 0.438279 0.318634 Al\n0.235828 0.681366 0.561721 Al\n0.047984 0.920780 0.841680 O\n0.452017 0.158320 0.079220 O\n0.904109 0.746104 0.634784 O\n0.547983 0.841681 0.920779 O\n0.952016 0.079221 0.158320 O\n0.832329 0.383383 0.865725 O\n0.667671 0.134274 0.616617 O\n0.167671 0.616618 0.134274 O\n0.332329 0.865727 0.383382 O\n0.404109 0.634785 0.746102 O\n0.095891 0.253897 0.365215 O\n0.595891 0.365216 0.253897 O\n0.750000 0.525544 0.474456 O\n0.250000 0.474457 0.525543 O\n",
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{
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"structure_string": "Nd1 Co1 Si3\n1.0\n4.166075 -0.000000 0.000000\n-0.000000 4.166075 0.000000\n-2.083038 -2.083038 4.819578\nNd Co Si\n1 1 3\ndirect\n0.004224 0.004224 0.008449 Nd\n0.662265 0.662265 0.324529 Co\n0.427608 0.427608 0.855215 Si\n0.760453 0.260452 0.520904 Si\n0.260452 0.760453 0.520904 Si\n",
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{
"id": "jvasp-9417",
"created_at": "2022-09-04T14:36:35.626216Z",
"updated_at": "2022-09-04T14:36:35.626241Z",
"structure_string": "Y2 Al8 Ni2\n1.0\n3.938477 0.000000 -1.037491\n0.000000 6.643304 -0.000000\n0.000490 0.000000 7.996136\nY Al Ni\n2 8 2\ndirect\n0.383213 0.750000 0.766425 Y\n0.616788 0.250000 0.233576 Y\n0.811013 0.052250 0.622026 Al\n0.188987 0.947749 0.377974 Al\n0.188987 0.552250 0.377974 Al\n0.811013 0.447749 0.622026 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.423681 0.250000 0.847363 Al\n0.576319 0.750000 0.152638 Al\n0.273803 0.250000 0.547606 Ni\n0.726198 0.750000 0.452395 Ni\n",
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],
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"density": 4.056145774516623,
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"formula_full": "Y2 Al8 Ni2",
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{
"id": "jvasp-103117",
"created_at": "2022-09-04T14:36:35.630316Z",
"updated_at": "2022-09-04T14:36:35.630344Z",
"structure_string": "Cd3 Fe1 S4\n1.0\n4.071069 0.000000 -0.000000\n0.000000 4.071069 0.000000\n-0.000000 0.000000 11.577871\nCd Fe S\n3 1 4\ndirect\n0.000000 0.000000 0.764432 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.235568 Cd\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.367814 S\n0.500000 0.000000 0.101681 S\n0.000000 0.500000 0.898319 S\n0.500000 0.000000 0.632186 S\n",
"nsites": 8,
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"formula_full": "Cd3 Fe1 S4",
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{
"id": "jvasp-100029",
"created_at": "2022-09-04T14:36:35.639787Z",
"updated_at": "2022-09-04T14:36:35.639806Z",
"structure_string": "Bi1 Sb1 Pd2\n1.0\n4.219224 -0.000000 0.000000\n-2.109613 3.653955 -0.000000\n0.000000 0.000000 5.778786\nBi Sb Pd\n1 1 2\ndirect\n0.333334 0.666668 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n0.666667 0.333333 0.757419 Pd\n0.666667 0.333333 0.242581 Pd\n",
"nsites": 4,
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{
"id": "jvasp-51021",
"created_at": "2022-09-04T14:36:35.643356Z",
"updated_at": "2022-09-04T14:36:35.643384Z",
"structure_string": "Ga4 H12 O12\n1.0\n-3.749823 3.782483 3.749823\n3.782483 -3.749823 3.749823\n3.717163 3.717163 -3.717163\nGa H O\n4 12 12\ndirect\n0.500000 -0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.958478 0.698487 0.657977 H\n0.180818 0.545889 0.728335 H\n0.041522 0.301512 0.342022 H\n0.545889 0.365071 0.817553 H\n0.698487 0.740009 0.040511 H\n0.819181 0.454110 0.271664 H\n0.454110 0.634928 0.182447 H\n0.365071 0.819181 0.547517 H\n0.740009 0.041522 0.699499 H\n0.259990 0.958478 0.300501 H\n0.634928 0.180818 0.452482 H\n0.301512 0.259990 0.959489 H\n0.826189 0.322444 0.142667 O\n0.176245 0.310882 0.485280 O\n0.677556 0.503746 0.820222 O\n0.689119 0.865364 0.174399 O\n0.310882 0.134635 0.825600 O\n0.865364 0.176245 0.690964 O\n0.503746 0.826189 0.683523 O\n0.134635 0.823754 0.309035 O\n0.496254 0.173810 0.316477 O\n0.173810 0.677556 0.857333 O\n0.322444 0.496254 0.179777 O\n0.823754 0.689119 0.514719 O\n",
"nsites": 28,
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"volume": 210.8955982880625,
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"formula_full": "Ga4 H12 O12",
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{
"id": "jvasp-103281",
"created_at": "2022-09-04T14:36:35.647840Z",
"updated_at": "2022-09-04T14:36:35.647871Z",
"structure_string": "Mg1 Sb1 Rh2\n1.0\n3.902345 -0.000000 2.253021\n1.300782 3.679166 2.253021\n-0.000000 -0.000000 4.506040\nMg Sb Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750001 0.749999 Rh\n",
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"spacegroup": 225
},
{
"id": "jvasp-52295",
"created_at": "2022-09-04T14:36:35.670033Z",
"updated_at": "2022-09-04T14:36:35.670063Z",
"structure_string": "Bi4 O4 F4\n1.0\n3.626646 0.000000 0.000000\n0.000000 6.403873 0.000000\n0.000000 0.000000 7.671651\nBi O F\n4 4 4\ndirect\n0.750001 0.207407 0.102998 Bi\n0.250000 0.292593 0.602998 Bi\n0.750001 0.707407 0.397002 Bi\n0.250000 0.792592 0.897002 Bi\n0.750001 0.011244 0.858252 O\n0.250000 0.488756 0.358252 O\n0.750001 0.511244 0.641748 O\n0.250000 0.988755 0.141748 O\n0.750001 0.140112 0.420383 F\n0.250000 0.359887 0.920383 F\n0.750001 0.640112 0.079617 F\n0.250000 0.859887 0.579617 F\n",
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"formula_full": "Bi4 O4 F4",
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{
"id": "jvasp-42679",
"created_at": "2022-09-04T14:36:35.690296Z",
"updated_at": "2022-09-04T14:36:35.690318Z",
"structure_string": "Fe6 O4 F8\n1.0\n0.000000 5.679586 0.033408\n4.729530 0.000000 0.000000\n0.000000 -0.515693 -7.817317\nFe O F\n6 4 8\ndirect\n0.227146 0.488031 0.496352 Fe\n0.574650 0.491375 0.851482 Fe\n0.898018 0.534077 0.178187 Fe\n0.772855 0.988031 0.503648 Fe\n0.425351 0.991375 0.148518 Fe\n0.101983 0.034077 0.821813 Fe\n0.619565 0.697208 0.067482 O\n0.957046 0.703872 0.397645 O\n0.042955 0.203872 0.602355 O\n0.380437 0.197208 0.932518 O\n0.452940 0.802653 0.400954 F\n0.709601 0.200403 0.271929 F\n0.881187 0.290960 0.945243 F\n0.547061 0.302653 0.599046 F\n0.212688 0.291422 0.261045 F\n0.290401 0.700403 0.728071 F\n0.118815 0.790960 0.054757 F\n0.787313 0.791422 0.738955 F\n",
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{
"id": "jvasp-100546",
"created_at": "2022-09-04T14:36:35.698351Z",
"updated_at": "2022-09-04T14:36:35.698372Z",
"structure_string": "Sm1 Eu1 S2\n1.0\n3.986276 0.000000 0.000000\n0.000000 3.986276 -0.000000\n-0.000000 0.000000 5.637956\nSm Eu S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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},
{
"id": "jvasp-54813",
"created_at": "2022-09-04T14:36:35.706390Z",
"updated_at": "2022-09-04T14:36:35.706416Z",
"structure_string": "Tm1 Ge2 Ru2\n1.0\n3.955763 0.000000 -1.559281\n-0.614637 3.907720 -1.559281\n-0.023548 -0.027541 5.737617\nTm Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.371214 0.371215 0.742430 Ge\n0.628784 0.628785 0.257570 Ge\n0.749999 0.250000 0.500000 Ru\n0.249999 0.750000 0.500000 Ru\n",
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{
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"created_at": "2022-09-04T14:36:35.715984Z",
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"structure_string": "Sm2 H2 O4\n1.0\n3.760338 -0.000000 0.000000\n-0.000000 4.143224 1.455810\n0.000000 -0.064849 6.164305\nSm H O\n2 2 4\ndirect\n0.250000 0.666243 0.191161 Sm\n0.750000 0.333756 0.808840 Sm\n0.750000 0.984090 0.424976 H\n0.250000 0.015909 0.575025 H\n0.250000 0.235824 0.046676 O\n0.750000 0.756222 0.438829 O\n0.250000 0.243777 0.561172 O\n0.750000 0.764175 0.953325 O\n",
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]
}