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{
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"structure_string": "Ba1 Sm5 Al3 Si9 N20 O1\n1.0\n6.072953 0.000000 0.000000\n0.008926 9.562625 0.000000\n0.015408 4.702237 8.429942\nBa Sm Al Si N O\n1 5 3 9 20 1\ndirect\n0.000172 0.004796 0.997889 Ba\n0.498766 0.755553 0.996819 Sm\n0.496286 0.330934 0.330517 Sm\n0.501506 0.000309 0.245455 Sm\n0.506146 0.663899 0.672311 Sm\n0.498595 0.244543 0.758088 Sm\n0.986030 0.178220 0.283482 Al\n0.016041 0.718072 0.818736 Al\n0.015441 0.465781 0.716576 Al\n0.741160 0.392972 0.990249 Si\n0.983930 0.527503 0.186162 Si\n0.747640 0.613530 0.395029 Si\n0.984696 0.288682 0.523185 Si\n0.745490 0.990330 0.614804 Si\n0.254487 0.012311 0.604702 Si\n0.018242 0.809775 0.476821 Si\n0.250410 0.604173 0.384252 Si\n0.256959 0.380263 0.014403 Si\n0.997018 0.507701 0.008897 N\n0.498313 0.488069 0.002491 N\n0.785813 0.651506 0.200228 N\n0.244335 0.577398 0.219215 N\n0.771969 0.199137 0.140685 N\n0.263060 0.216846 0.200614 N\n0.905995 0.337016 0.332744 N\n0.244660 0.208185 0.570505 N\n0.001212 0.991948 0.492520 N\n0.786992 0.154823 0.643887 N\n0.500785 0.005552 0.511203 N\n0.208799 0.799522 0.346807 N\n0.756391 0.776656 0.426885 N\n0.225358 0.867744 0.799980 N\n0.498329 0.517008 0.480954 N\n0.738552 0.805488 0.780696 N\n0.104479 0.670287 0.662468 N\n0.997425 0.484984 0.506997 N\n0.737901 0.419952 0.800653 N\n0.223178 0.338610 0.861545 N\n0.507439 0.999920 0.000545 O\n",
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"formula_full": "Ba1 Sm5 Al3 Si9 N20 O1",
"formula_reduced": "BaSm5Al3Si9N20O",
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"updated_at": "2021-11-28T01:36:30.179000Z",
"spacegroup": 1
},
{
"id": "mp-752737",
"created_at": "2022-09-04T14:44:07.734394Z",
"structure_string": "Mn4 O2 F6\n1.0\n3.100623 -5.370437 0.000000\n3.100623 5.370437 0.000000\n0.000000 0.000000 4.861934\nMn O F\n4 2 6\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.655052 O\n0.666667 0.333333 0.344948 O\n0.162156 0.837844 0.257904 F\n0.162156 0.324313 0.257904 F\n0.675687 0.837844 0.257904 F\n0.324313 0.162156 0.742096 F\n0.837844 0.675687 0.742096 F\n0.837844 0.162156 0.742096 F\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "F-Mn-O",
"density": 3.750814396098853,
"density_atomic": 0.07411115826150946,
"volume": 161.9189374649451,
"volume_molar": 8.125821942696142,
"formula_full": "Mn4 O2 F6",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:36:37.271000Z",
"spacegroup": 164
}
]
}