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{
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{
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"structure_string": "Na14 Al6 O16\n1.0\n5.892253 -0.011433 0.039736\n2.589253 7.006775 2.817843\n0.019200 -0.009270 11.345592\nNa Al O\n14 6 16\ndirect\n0.149509 0.101311 0.668081 Na\n0.276135 0.480858 0.450014 Na\n0.550009 0.693026 0.238884 Na\n0.374559 0.911853 0.443700 Na\n0.625439 0.088148 0.556300 Na\n0.524194 0.710078 0.728442 Na\n0.723864 0.519143 0.549986 Na\n0.850490 0.898690 0.331919 Na\n0.740246 0.491750 0.055122 Na\n0.340322 0.902571 0.950497 Na\n0.259753 0.508251 0.944877 Na\n0.475804 0.289923 0.271557 Na\n0.449989 0.306975 0.761116 Na\n0.659677 0.097430 0.049503 Na\n0.065732 0.700377 0.137639 Al\n0.934267 0.299624 0.862361 Al\n0.957341 0.325396 0.355351 Al\n0.833772 0.902214 0.842573 Al\n0.166227 0.097787 0.157426 Al\n0.042658 0.674605 0.644648 Al\n0.465203 0.010935 0.230540 O\n0.160247 0.234209 0.992061 O\n0.534795 0.989066 0.769460 O\n0.221121 0.198186 0.464659 O\n0.066615 0.908000 0.162326 O\n0.024817 0.437801 0.722591 O\n0.642005 0.406995 0.894250 O\n0.778878 0.801815 0.535341 O\n0.933383 0.092001 0.837673 O\n0.323070 0.633624 0.581584 O\n0.051127 0.777721 0.763005 O\n0.975181 0.562200 0.277409 O\n0.357993 0.593006 0.105749 O\n0.839752 0.765792 0.007938 O\n0.948871 0.222280 0.236994 O\n0.676928 0.366377 0.418416 O\n",
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"created_at": "2022-09-04T14:38:28.904967Z",
"updated_at": "2022-09-04T14:38:28.904981Z",
"structure_string": "Mn6 F16\n1.0\n6.387784 0.026243 0.000144\n3.216433 5.518968 -0.000144\n-0.000178 0.000307 8.545942\nMn F\n6 16\ndirect\n0.167949 0.167926 0.752478 Mn\n0.167973 0.666538 0.751542 Mn\n0.333462 0.832026 0.251542 Mn\n0.666559 0.167954 0.751534 Mn\n0.832046 0.333440 0.251534 Mn\n0.832074 0.832051 0.252478 Mn\n0.865472 0.293927 0.647593 F\n0.531628 0.955007 0.358038 F\n0.662661 0.662634 0.119175 F\n0.521194 0.521197 0.358594 F\n0.293974 0.865439 0.647594 F\n0.706073 0.134527 0.147593 F\n0.478802 0.478805 0.858594 F\n0.134561 0.706025 0.147594 F\n0.468384 0.045004 0.858035 F\n0.954996 0.531615 0.358035 F\n0.044992 0.468372 0.858038 F\n0.145829 0.145774 0.147192 F\n0.997933 0.997924 0.880792 F\n0.002076 0.002065 0.380792 F\n0.337365 0.337338 0.619175 F\n0.854225 0.854171 0.647192 F\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.500573272326752,
"density_atomic": 0.07319741130342766,
"volume": 300.55707720048554,
"volume_molar": 8.227259205979594,
"formula_full": "Mn6 F16",
"formula_reduced": "Mn3F8",
"formula_anonymous": "A3B8",
"energy_above_hull": 1.0513339985579933,
"spacegroup": 36
}
]
}