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{
"id": "jvasp-12634",
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"updated_at": "2022-09-04T14:36:40.810638Z",
"structure_string": "Rb1 Fe1 Se2 O8\n1.0\n2.517553 -4.360529 -0.000000\n2.517553 4.360529 0.000000\n-0.000000 -0.000000 8.548560\nRb Fe Se O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Fe\n0.666666 0.333332 0.282600 Se\n0.333332 0.666666 0.717400 Se\n0.716540 0.672583 0.345548 O\n0.956043 0.283459 0.345548 O\n0.327416 0.043956 0.345548 O\n0.672583 0.716540 0.654452 O\n0.333332 0.666666 0.909541 O\n0.666666 0.333332 0.090459 O\n0.043956 0.327416 0.654452 O\n0.283459 0.956043 0.654452 O\n",
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{
"id": "jvasp-103869",
"created_at": "2022-09-04T14:36:40.533341Z",
"updated_at": "2022-09-04T14:36:40.533359Z",
"structure_string": "Sn1 H10 C6 O4\n1.0\n4.772925 -0.033913 0.642250\n1.116640 6.057171 1.354479\n-0.015159 0.180457 6.669512\nSn H C O\n1 10 6 4\ndirect\n0.012994 0.821168 0.692737 Sn\n0.783276 0.729501 0.381560 H\n0.988097 0.482602 0.522290 H\n0.242787 0.912793 0.003897 H\n0.861320 0.957810 0.046725 H\n0.164746 0.684511 0.338777 H\n0.817920 0.223979 0.259009 H\n0.591770 0.437786 0.351586 H\n0.208048 0.418340 0.126430 H\n0.434206 0.204538 0.033845 H\n0.037968 0.159706 0.863192 H\n0.043178 0.983296 0.932705 C\n0.982869 0.659013 0.452776 C\n0.470178 0.125480 0.467381 C\n0.555790 0.516848 0.918060 C\n0.591754 0.290663 0.290256 C\n0.434217 0.351658 0.095180 C\n0.786418 0.577528 0.938752 O\n0.600615 0.056474 0.632186 O\n0.239512 0.064840 0.446727 O\n0.425392 0.585823 0.753234 O\n",
"nsites": 21,
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"elements": [
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"formula_full": "Sn1 H10 C6 O4",
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{
"id": "jvasp-101763",
"created_at": "2022-09-04T14:36:40.603660Z",
"updated_at": "2022-09-04T14:36:40.603680Z",
"structure_string": "Ba2 Co1 W1 O6\n1.0\n5.012574 -0.000755 2.824980\n-3.359333 4.669346 0.102383\n0.060532 -0.084281 5.752203\nBa Co W O\n2 1 1 6\ndirect\n0.499999 0.750012 0.749986 Ba\n0.500000 0.249988 0.250013 Ba\n0.000000 0.000000 0.000000 Co\n0.000000 0.500001 0.499999 W\n-0.000001 0.259479 0.740513 O\n-0.000033 0.259425 0.259454 O\n0.481036 0.740509 0.259471 O\n0.518963 0.259491 0.740529 O\n0.000034 0.740576 0.740544 O\n0.000002 0.740522 0.259485 O\n",
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{
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"created_at": "2022-09-04T14:36:40.812980Z",
"updated_at": "2022-09-04T14:36:40.813005Z",
"structure_string": "K1 Cu2 Ge1 S4\n1.0\n5.355534 -0.163760 -2.858160\n-1.999589 4.970935 -2.858160\n0.114323 0.163760 6.069410\nK Cu Ge S\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 K\n0.749999 0.250000 0.500000 Cu\n0.250000 0.750001 0.500000 Cu\n0.000000 0.000000 0.000000 Ge\n0.363887 0.960843 0.000000 S\n0.960841 0.363888 -0.000000 S\n0.636112 0.636113 0.596954 S\n0.039158 0.039158 0.403045 S\n",
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{
"id": "jvasp-43146",
"created_at": "2022-09-04T14:36:40.507692Z",
"updated_at": "2022-09-04T14:36:40.507717Z",
"structure_string": "Li2 Cr3 Fe1 O8\n1.0\n5.810706 -0.011121 -0.007863\n2.895721 5.037779 -0.007863\n2.895721 1.671846 4.752284\nLi Cr Fe O\n2 3 1 8\ndirect\n0.122455 0.122455 0.122455 Li\n0.500007 0.500008 0.500008 Li\n0.013532 0.497378 0.497378 Cr\n0.497378 0.013533 0.497378 Cr\n0.497378 0.497378 0.013533 Cr\n0.881505 0.881507 0.881506 Fe\n0.259961 0.259961 0.259961 O\n0.248419 0.248421 0.714761 O\n0.248419 0.714762 0.248420 O\n0.714761 0.248420 0.248420 O\n0.278317 0.747473 0.747472 O\n0.747472 0.278319 0.747472 O\n0.747472 0.747473 0.278318 O\n0.742922 0.742923 0.742923 O\n",
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{
"id": "jvasp-101511",
"created_at": "2022-09-04T14:36:40.443213Z",
"updated_at": "2022-09-04T14:36:40.443234Z",
"structure_string": "Rb2 In1 Ag1 Br6\n1.0\n6.728498 0.000000 3.884700\n2.242833 6.343689 3.884700\n0.000000 0.000000 7.769400\nRb In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.753433 0.246568 0.246567 Br\n0.246567 0.246568 0.753433 Br\n0.246567 0.753433 0.753433 Br\n0.246567 0.753433 0.246567 Br\n0.753433 0.246568 0.753432 Br\n0.753432 0.753433 0.246567 Br\n",
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{
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"created_at": "2022-09-04T14:36:40.514204Z",
"updated_at": "2022-09-04T14:36:40.514223Z",
"structure_string": "Sc1 Nb1 Pb2 O6\n1.0\n5.022641 0.000000 2.899823\n1.674214 4.735390 2.899823\n-0.000000 -0.000000 5.799645\nSc Nb Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Pb\n0.749999 0.750000 0.750000 Pb\n0.254711 0.254711 0.745290 O\n0.745288 0.745289 0.254711 O\n0.254710 0.745289 0.254711 O\n0.745289 0.254711 0.745289 O\n0.745289 0.254711 0.254711 O\n0.254710 0.745289 0.745290 O\n",
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{
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"created_at": "2022-09-04T14:36:40.338208Z",
"updated_at": "2022-09-04T14:36:40.338232Z",
"structure_string": "Mn2 H4 S2 O10\n1.0\n3.069704 3.946828 -1.607439\n-3.069704 3.946828 1.607439\n0.115112 0.000000 7.809456\nMn H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.414052 0.149789 0.790717 H\n0.149789 0.414052 0.709283 H\n0.585948 0.850211 0.209283 H\n0.850211 0.585948 0.290717 H\n0.841488 0.841489 0.750000 S\n0.158512 0.158512 0.250000 S\n0.377316 0.162601 0.163127 O\n0.162601 0.377316 0.336873 O\n0.622684 0.837399 0.836873 O\n0.837399 0.622685 0.663127 O\n0.113176 0.782077 0.899446 O\n0.886824 0.217924 0.100554 O\n0.782076 0.113177 0.600554 O\n0.354442 0.354442 0.750000 O\n0.217924 0.886824 0.399446 O\n0.645558 0.645558 0.250000 O\n",
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{
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"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n6.776136 -0.000000 3.912204\n2.258712 6.388602 3.912204\n-0.000000 -0.000000 7.824408\nTb K Rb Cl\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.762549 0.237452 0.237451 Cl\n0.237452 0.237452 0.762548 Cl\n0.237452 0.762548 0.762548 Cl\n0.237452 0.762548 0.237452 Cl\n0.762549 0.237452 0.762548 Cl\n0.762548 0.762548 0.237451 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:40.362068Z",
"structure_string": "Rb2 Sc1 In1 F6\n1.0\n5.629603 -0.000000 3.250253\n1.876534 5.307641 3.250253\n-0.000000 -0.000000 6.500506\nRb Sc In F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 In\n0.779725 0.220275 0.220275 F\n0.220274 0.220275 0.779726 F\n0.220274 0.779725 0.779726 F\n0.220274 0.779725 0.220275 F\n0.779725 0.220275 0.779726 F\n0.779724 0.779725 0.220275 F\n",
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{
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"created_at": "2022-09-04T14:36:40.519549Z",
"updated_at": "2022-09-04T14:36:40.519577Z",
"structure_string": "Al1 Zn1 Cu3 Se4\n1.0\n5.719719 0.000000 0.000000\n0.000000 5.719719 0.000000\n-0.000000 -0.000000 5.719719\nAl Zn Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.248592 0.248592 0.248592 Se\n0.751408 0.751408 0.248592 Se\n0.248592 0.751408 0.751408 Se\n0.751408 0.248592 0.751408 Se\n",
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"formula_full": "Al1 Zn1 Cu3 Se4",
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}
]
}