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{
"id": "jvasp-92321",
"created_at": "2022-09-04T14:36:01.112091Z",
"updated_at": "2022-09-04T14:36:01.112121Z",
"structure_string": "Ce6 Mg2\n1.0\n4.722156 0.000000 0.000000\n0.000000 4.722156 0.000000\n0.000000 0.000000 9.582254\nCe Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.250000 Ce\n0.000000 0.500000 0.250000 Ce\n0.000000 0.000000 0.500000 Ce\n0.000000 0.500000 0.750000 Ce\n0.500000 0.000000 0.750000 Ce\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
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{
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"structure_string": "Ba2 Al4 O8\n1.0\n2.623966 -4.544844 0.000000\n2.623966 4.544844 0.000000\n0.000000 -0.000000 8.958115\nBa Al O\n2 4 8\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333334 0.666668 0.553735 Al\n0.666668 0.333334 0.053735 Al\n0.666668 0.333334 0.446264 Al\n0.333334 0.666668 0.946264 Al\n0.352766 0.352766 0.500000 O\n0.000001 0.647234 0.500000 O\n0.000000 0.352766 0.000000 O\n0.333334 0.666668 0.750000 O\n0.647235 0.647235 0.000000 O\n0.647234 0.000001 0.500000 O\n0.666668 0.333334 0.250000 O\n0.352766 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:18.210951Z",
"updated_at": "2022-09-04T14:37:18.210982Z",
"structure_string": "Zn1 Co4 S8\n1.0\n6.623051 0.102138 0.072222\n3.399980 5.888936 0.000000\n3.399980 1.962978 5.552142\nZn Co S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Zn\n-0.000000 0.500001 0.500000 Co\n0.500000 0.500001 -0.000000 Co\n0.500000 0.500001 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.266399 0.260319 0.260318 S\n0.266399 0.260319 0.712965 S\n0.266399 0.712966 0.260318 S\n0.720508 0.259831 0.259830 S\n0.279491 0.740171 0.740169 S\n0.733600 0.739683 0.287034 S\n0.733600 0.287035 0.739681 S\n0.733600 0.739683 0.739681 S\n",
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"volume": 213.65655032777372,
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"formula_full": "Zn1 Co4 S8",
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{
"id": "jvasp-91921",
"created_at": "2022-09-04T14:36:12.361588Z",
"updated_at": "2022-09-04T14:36:12.361610Z",
"structure_string": "Ca2 Mg6\n1.0\n6.827770 0.000000 0.000000\n-3.413884 5.913022 -0.000000\n-0.000000 -0.000000 5.291694\nCa Mg\n2 6\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.749999 Ca\n0.840418 0.159582 0.250000 Mg\n0.840418 0.680836 0.250000 Mg\n0.319164 0.159582 0.250000 Mg\n0.680836 0.840418 0.749999 Mg\n0.159583 0.840418 0.749999 Mg\n0.159582 0.319164 0.749999 Mg\n",
"nsites": 8,
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"elements": [
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"spacegroup": 194
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{
"id": "jvasp-99265",
"created_at": "2022-09-04T14:36:11.580307Z",
"updated_at": "2022-09-04T14:36:11.580343Z",
"structure_string": "Ag2 Pd2 F12\n1.0\n4.882949 0.020247 1.154228\n2.262191 4.336769 1.183988\n0.063787 0.024356 10.129129\nAg Pd F\n2 2 12\ndirect\n0.500000 0.500001 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.275577 0.231481 0.249969 Pd\n0.724423 0.768521 0.750032 Pd\n0.936323 0.509442 0.366028 F\n0.063676 0.490559 0.633972 F\n0.617850 0.946210 0.132822 F\n0.382150 0.053791 0.867178 F\n0.670831 0.428328 0.865578 F\n0.329169 0.571674 0.134424 F\n0.011409 0.709562 0.867530 F\n-0.011409 0.290439 0.132470 F\n0.441045 0.823064 0.632244 F\n0.558954 0.176938 0.367756 F\n0.786870 0.110962 0.633705 F\n0.213130 0.889040 0.366295 F\n",
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"spacegroup": 2
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{
"id": "jvasp-48917",
"created_at": "2022-09-04T14:35:46.722409Z",
"updated_at": "2022-09-04T14:35:46.722420Z",
"structure_string": "Li1 Mn7 O9 F3\n1.0\n4.286152 2.474611 3.356852\n-4.286152 2.474612 3.356852\n0.000000 -4.949223 3.356852\nLi Mn O F\n1 7 9 3\ndirect\n0.535232 0.535232 0.535232 Li\n0.084089 0.754695 0.548581 Mn\n0.419418 0.942281 0.240333 Mn\n0.240333 0.419418 0.942281 Mn\n0.981508 0.981508 0.981508 Mn\n0.754695 0.548581 0.084089 Mn\n0.548581 0.084089 0.754695 Mn\n0.942281 0.240333 0.419418 Mn\n0.872409 0.058069 0.689815 O\n0.959204 0.300950 0.089003 O\n0.849037 0.573350 0.407932 O\n0.300950 0.089003 0.959204 O\n0.058069 0.689815 0.872408 O\n0.689815 0.872409 0.058069 O\n0.407932 0.849037 0.573350 O\n0.089003 0.959204 0.300950 O\n0.573350 0.407933 0.849037 O\n0.389621 0.583758 0.220707 F\n0.220707 0.389621 0.583758 F\n0.583758 0.220707 0.389621 F\n",
"nsites": 20,
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"elements": [
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"formula_full": "Li1 Mn7 O9 F3",
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{
"id": "jvasp-8211",
"created_at": "2022-09-04T14:38:07.070193Z",
"updated_at": "2022-09-04T14:38:07.070218Z",
"structure_string": "Tl2 Ga2 Se4\n1.0\n5.677180 0.000030 3.198871\n2.838610 5.725601 1.599456\n0.027961 0.000024 6.587693\nTl Ga Se\n2 2 4\ndirect\n0.750000 -0.000002 0.000002 Tl\n0.250000 0.000002 -0.000002 Tl\n0.250000 0.500001 0.499999 Ga\n0.750000 0.499998 0.500001 Ga\n0.838195 0.499999 0.823609 Se\n0.661805 0.176391 0.500000 Se\n0.161805 0.500000 0.176391 Se\n0.338195 0.823608 0.500000 Se\n",
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"volume": 213.62204486992468,
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"formula_full": "Tl2 Ga2 Se4",
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"formula_anonymous": "ABC2",
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"spacegroup": 140
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{
"id": "jvasp-89293",
"created_at": "2022-09-04T14:36:05.481361Z",
"updated_at": "2022-09-04T14:36:05.481388Z",
"structure_string": "Fe2 Sb4 O12\n1.0\n4.730398 0.000000 0.000000\n-0.000000 4.730398 0.000000\n0.000000 0.000000 9.546157\nFe Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.332763 Sb\n0.500000 0.500000 0.832764 Sb\n0.500000 0.500000 0.167237 Sb\n0.000000 0.000000 0.667237 Sb\n0.694991 0.694991 0.331892 O\n0.194990 0.805010 0.168108 O\n0.805010 0.194990 0.168108 O\n0.805010 0.194990 0.831892 O\n0.194990 0.805010 0.831892 O\n0.806573 0.193428 0.500000 O\n0.693428 0.693428 0.000000 O\n0.305010 0.305010 0.668108 O\n0.193428 0.806573 0.500000 O\n0.306572 0.306572 0.000000 O\n0.305010 0.305010 0.331892 O\n0.694991 0.694991 0.668108 O\n",
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{
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"created_at": "2022-09-04T14:35:45.842021Z",
"updated_at": "2022-09-04T14:35:45.842041Z",
"structure_string": "K1 Mg7\n1.0\n6.822339 0.000000 -0.000000\n-3.411169 5.908317 0.000000\n0.000000 -0.000000 5.299386\nK Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 K\n0.173384 0.836692 0.250000 Mg\n0.663308 0.326616 0.250000 Mg\n0.663308 0.836692 0.250000 Mg\n0.345137 0.154864 0.750001 Mg\n0.345137 0.690274 0.750001 Mg\n0.809726 0.154864 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n",
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{
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"created_at": "2022-09-04T14:37:11.851149Z",
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"structure_string": "Tl4 S4\n1.0\n6.282870 0.038470 -1.825795\n-3.532539 5.195874 -1.825795\n-0.020214 -0.038470 6.542750\nTl S\n4 4\ndirect\n0.250000 0.250000 0.000000 Tl\n0.749999 0.749999 0.000001 Tl\n0.750000 0.250000 0.500001 Tl\n0.250000 0.749999 0.500001 Tl\n0.675291 0.175291 0.850584 S\n0.175291 0.324709 0.500000 S\n0.824709 0.675291 0.500001 S\n0.324708 0.824708 0.149417 S\n",
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{
"id": "jvasp-61944",
"created_at": "2022-09-04T14:35:53.218217Z",
"updated_at": "2022-09-04T14:35:53.218234Z",
"structure_string": "Ga4 Au8\n1.0\n1.714365 -9.029168 0.000000\n1.714365 9.029168 0.000000\n0.000000 0.000000 6.899069\nGa Au\n4 8\ndirect\n0.058272 0.941731 0.194723 Ga\n0.941731 0.058272 0.694723 Ga\n0.289920 0.710083 0.224802 Ga\n0.710083 0.289920 0.724802 Ga\n0.463855 0.536148 0.999188 Au\n0.536148 0.463855 0.499187 Au\n0.323576 0.676427 0.596248 Au\n0.676427 0.323576 0.096248 Au\n0.086751 0.913252 0.822228 Au\n0.913252 0.086751 0.322228 Au\n0.169869 0.830134 0.450813 Au\n0.830134 0.169869 0.950813 Au\n",
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"spacegroup": 36
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{
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"created_at": "2022-09-04T14:36:03.397057Z",
"updated_at": "2022-09-04T14:36:03.397085Z",
"structure_string": "Ba4 Mn1 Re1\n1.0\n0.000000 4.744189 4.744189\n4.744189 -0.000000 4.744189\n4.744189 4.744189 0.000000\nBa Mn Re\n4 1 1\ndirect\n0.124093 0.625302 0.625302 Ba\n0.625302 0.625302 0.625302 Ba\n0.625302 0.124093 0.625302 Ba\n0.625302 0.625302 0.124093 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Re\n",
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"formula_full": "Ba4 Mn1 Re1",
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}
]
}