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{
"id": "jvasp-45080",
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"updated_at": "2022-09-04T14:38:07.283290Z",
"structure_string": "Na6 Fe2 B2 As2 O14\n1.0\n0.000000 5.266660 -0.008656\n6.804339 0.000000 0.000000\n0.000000 -0.161320 -9.062854\nNa Fe B As O\n6 2 2 2 14\ndirect\n0.242816 0.750000 0.075670 Na\n0.755379 0.002095 0.243537 Na\n0.755379 0.497905 0.243537 Na\n0.244621 0.502095 0.756463 Na\n0.244621 0.997905 0.756463 Na\n0.757184 0.250000 0.924330 Na\n0.225289 0.250000 0.330430 Fe\n0.774711 0.750000 0.669569 Fe\n0.731654 0.750000 0.939401 B\n0.268346 0.250000 0.060599 B\n0.289698 0.750000 0.423451 As\n0.710301 0.250000 0.576549 As\n0.531300 0.750000 0.833805 O\n0.784552 0.053135 0.688152 O\n0.784552 0.446865 0.688152 O\n0.386021 0.250000 0.536451 O\n0.134906 0.750000 0.587724 O\n0.865094 0.250000 0.412276 O\n0.694955 0.750000 0.085950 O\n0.215448 0.553135 0.311848 O\n0.215448 0.946865 0.311848 O\n0.468700 0.250000 0.166195 O\n0.031451 0.250000 0.127953 O\n0.968549 0.750000 0.872046 O\n0.613979 0.750000 0.463549 O\n0.305045 0.250000 0.914049 O\n",
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{
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"structure_string": "B2 As2 H8 N2 O8 F2\n1.0\n4.652745 -0.006223 0.002147\n-2.508561 3.918570 0.002147\n-0.003292 -0.006006 12.624072\nB As H N O F\n2 2 8 2 8 2\ndirect\n0.570096 0.249280 0.689754 B\n0.249280 0.570095 0.189754 B\n0.900632 0.934138 0.772984 As\n0.934139 0.900631 0.272985 As\n0.636447 0.327746 0.075433 H\n0.254010 0.426552 0.459256 H\n0.426553 0.254009 0.959255 H\n0.327746 0.636446 0.575432 H\n0.801852 0.628808 0.978372 H\n0.263628 0.798017 0.463344 H\n0.798019 0.263627 0.963344 H\n0.628809 0.801851 0.478372 H\n0.666928 0.368835 0.994891 N\n0.368836 0.666927 0.494891 N\n0.766833 0.506436 0.771927 O\n0.506437 0.766832 0.271927 O\n0.553428 0.933820 0.721284 O\n0.933822 0.553428 0.221284 O\n0.215414 0.161431 0.678007 O\n0.161432 0.215413 0.178007 O\n0.004389 0.063268 0.899015 O\n0.063269 0.004388 0.399015 O\n0.721852 0.366768 0.588465 F\n0.366768 0.721851 0.088465 F\n",
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"density_atomic": 0.10436303600340313,
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"formula_full": "B2 As2 H8 N2 O8 F2",
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{
"id": "jvasp-75710",
"created_at": "2022-09-04T14:36:00.016993Z",
"updated_at": "2022-09-04T14:36:00.017020Z",
"structure_string": "Hg1 B2 As1\n1.0\n0.000000 3.169199 3.169199\n3.169199 0.000000 3.169199\n3.169199 3.169199 -0.000000\nHg B As\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 B\n0.750000 0.750000 0.750000 B\n0.500000 0.500000 0.500000 As\n",
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{
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"updated_at": "2022-09-04T14:37:15.083840Z",
"structure_string": "Ca3 Bi1 As1\n1.0\n5.797489 -0.000000 -0.000000\n0.000000 5.797489 0.000000\n0.000000 0.000000 5.797489\nCa Bi As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 As\n",
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{
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"created_at": "2022-09-04T14:37:28.956137Z",
"updated_at": "2022-09-04T14:37:28.956170Z",
"structure_string": "Ca3 Bi1 As1\n1.0\n5.491650 -0.000000 0.000000\n-0.000000 5.491650 -0.000000\n0.000000 0.000000 5.491650\nCa Bi As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 As\n",
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{
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"created_at": "2022-09-04T14:37:18.414536Z",
"updated_at": "2022-09-04T14:37:18.414554Z",
"structure_string": "Ca2 Bi2 As2 O12\n1.0\n0.000000 7.048916 0.133852\n5.164633 0.000000 0.000000\n0.000000 -1.873016 -7.247867\nCa Bi As O\n2 2 2 12\ndirect\n0.243246 0.775456 0.067616 Ca\n0.756755 0.275456 0.932385 Ca\n0.594303 0.220629 0.412951 Bi\n0.405698 0.720628 0.587049 Bi\n0.786470 0.804081 0.223127 As\n0.213530 0.304081 0.776874 As\n0.431115 0.484594 0.870567 O\n0.077019 0.372208 0.926498 O\n0.316175 0.999340 0.367466 O\n0.765448 0.472234 0.231351 O\n0.607141 0.023192 0.683059 O\n0.147049 0.460237 0.561929 O\n0.683825 0.499341 0.632535 O\n0.922982 0.872208 0.073503 O\n0.568885 0.984594 0.129433 O\n0.392860 0.523192 0.316942 O\n0.234552 0.972234 0.768650 O\n0.852951 0.960236 0.438072 O\n",
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"volume": 262.5642540364172,
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"formula_full": "Ca2 Bi2 As2 O12",
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{
"id": "jvasp-34672",
"created_at": "2022-09-04T14:38:08.532358Z",
"updated_at": "2022-09-04T14:38:08.532385Z",
"structure_string": "Ca4 Bi2 As2 O12\n1.0\n5.614676 0.000000 0.000000\n0.000000 7.117716 -2.100274\n-0.000000 0.051908 7.420939\nCa Bi As O\n4 2 2 12\ndirect\n0.763387 0.698224 0.907919 Ca\n0.763387 0.092082 0.301777 Ca\n0.263387 0.907919 0.698224 Ca\n0.263387 0.301777 0.092082 Ca\n0.251696 0.407346 0.592655 Bi\n0.751697 0.592655 0.407346 Bi\n0.803655 0.182281 0.817720 As\n0.303655 0.817720 0.182281 As\n0.423910 0.597815 0.086900 O\n0.423348 0.952769 0.047232 O\n0.011608 0.658334 0.650802 O\n0.497492 0.188826 0.811174 O\n0.011608 0.349199 0.341666 O\n0.923910 0.402186 0.913101 O\n0.511608 0.341666 0.349199 O\n0.423910 0.913101 0.402186 O\n0.923349 0.047232 0.952769 O\n0.511608 0.650802 0.658334 O\n0.997493 0.811175 0.188827 O\n0.923910 0.086900 0.597815 O\n",
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{
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"created_at": "2022-09-04T14:38:07.193244Z",
"updated_at": "2022-09-04T14:38:07.193263Z",
"structure_string": "Cd4 Bi2 As2 O12\n1.0\n5.697847 0.000000 0.000000\n0.000000 6.939827 -2.129603\n0.000000 0.169732 7.257244\nCd Bi As O\n4 2 2 12\ndirect\n0.367514 0.593284 0.815882 Cd\n0.367514 0.184117 0.406716 Cd\n0.867514 0.406716 0.184117 Cd\n0.867514 0.815883 0.593284 Cd\n0.374841 0.096866 0.903133 Bi\n0.874842 0.903134 0.096867 Bi\n0.355613 0.665950 0.334050 As\n0.855614 0.334050 0.665950 As\n0.321396 0.519369 0.480631 O\n0.717001 0.434724 0.883134 O\n0.717001 0.116866 0.565276 O\n0.651332 0.703137 0.296864 O\n0.821396 0.480631 0.519369 O\n0.217001 0.883134 0.434724 O\n0.619600 0.153191 0.157992 O\n0.119600 0.846809 0.842008 O\n0.151332 0.296864 0.703136 O\n0.619600 0.842008 0.846809 O\n0.119600 0.157992 0.153191 O\n0.217001 0.565276 0.116866 O\n",
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"structure_string": "Fe2 Bi2 As2 O2\n1.0\n3.949631 -0.000000 0.000000\n-0.000000 3.949631 0.000000\n-0.000000 0.000000 8.634427\nFe Bi As O\n2 2 2 2\ndirect\n0.250001 0.750001 0.500000 Fe\n0.750001 0.250001 0.500000 Fe\n0.750001 0.750001 0.851977 Bi\n0.250001 0.250001 0.148022 Bi\n0.750001 0.750001 0.357540 As\n0.250001 0.250001 0.642460 As\n0.250001 0.750001 0.000000 O\n0.750001 0.250001 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:32.998705Z",
"updated_at": "2022-09-04T14:37:32.998731Z",
"structure_string": "Ga2 Bi1 As1\n1.0\n4.288669 0.000000 0.000000\n0.000000 4.288669 0.000000\n-0.000000 0.000000 6.140929\nGa Bi As\n2 1 1\ndirect\n0.500000 0.000000 0.275039 Ga\n0.000000 0.500000 0.724961 Ga\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 As\n",
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"structure_string": "Ga4 Bi3 As1\n1.0\n4.440708 0.035806 14.062344\n2.197396 3.859096 14.062344\n0.061025 0.035806 14.746717\nGa Bi As\n4 3 1\ndirect\n0.057130 0.057130 0.057130 Ga\n0.810520 0.810523 0.810519 Ga\n0.564052 0.564054 0.564051 Ga\n0.317699 0.317701 0.317699 Ga\n0.747009 0.747012 0.747008 Bi\n0.500291 0.500293 0.500290 Bi\n0.253413 0.253414 0.253413 Bi\n-0.000117 -0.000117 -0.000117 As\n",
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{
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"created_at": "2022-09-04T14:37:17.187782Z",
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"structure_string": "Mg2 Bi2 As2 O12\n1.0\n0.000000 6.331666 0.585844\n5.675854 0.000000 0.000000\n0.000000 -2.925505 -6.924716\nMg Bi As O\n2 2 2 12\ndirect\n0.138560 0.750000 0.945325 Mg\n0.861440 0.250000 0.054676 Mg\n0.217895 0.250000 0.579570 Bi\n0.782105 0.750000 0.420432 Bi\n0.401313 0.250000 0.146111 As\n0.598687 0.750000 0.853890 As\n0.768734 0.517637 0.850053 O\n0.062747 0.525657 0.697322 O\n0.514635 0.750000 0.039266 O\n0.937253 0.474343 0.302679 O\n0.062747 0.974342 0.697322 O\n0.937253 0.025657 0.302679 O\n0.485366 0.250000 -0.039265 O\n0.231266 0.017637 0.149948 O\n0.666978 0.250000 0.378627 O\n0.768734 -0.017637 0.850053 O\n0.231266 0.482363 0.149948 O\n0.333022 0.750000 0.621375 O\n",
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]
}