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"structure_string": "Li3 Mn3 Ni1 O8\n1.0\n5.015043 -0.010976 -2.755432\n-1.641579 4.749159 -2.896324\n-0.035400 -0.093582 5.798517\nLi Mn Ni O\n3 3 1 8\ndirect\n-0.000000 0.500000 0.000000 Li\n0.499999 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500001 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.000000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Ni\n0.726654 0.750570 0.976135 O\n0.242506 0.748923 0.966123 O\n0.242496 0.276431 0.493617 O\n0.742166 0.261970 0.480262 O\n0.257833 0.738030 0.519739 O\n0.757503 0.723569 0.506385 O\n0.757493 0.251077 0.033878 O\n0.273345 0.249430 0.023866 O\n",
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{
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"structure_string": "Fe6 O11 F1\n1.0\n-4.334267 4.334267 2.863564\n0.026599 4.356944 -2.856951\n-4.356944 -0.026599 -2.856951\nFe O F\n6 11 1\ndirect\n0.833333 0.666113 0.667220 Fe\n0.666861 0.327038 0.337700 Fe\n0.333333 0.690966 0.642367 Fe\n0.159774 0.332425 0.351958 Fe\n0.506893 0.981376 0.000908 Fe\n-0.000195 0.995633 0.006295 Fe\n0.997981 0.304039 0.699955 O\n0.668685 0.633380 0.029296 O\n0.333333 0.978630 0.354704 O\n0.701545 0.100024 0.098672 O\n0.367666 0.438689 0.435046 O\n0.965121 0.234662 0.233310 O\n0.627320 0.564003 0.563364 O\n0.998685 0.695699 0.310358 O\n0.299001 0.898287 0.894644 O\n0.667982 0.022977 0.637635 O\n0.039346 0.769969 0.769330 O\n0.333333 0.366091 0.967241 F\n",
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"created_at": "2022-09-04T14:35:52.222849Z",
"updated_at": "2022-09-04T14:35:52.222868Z",
"structure_string": "Li6 Mn1 F8\n1.0\n-4.079757 4.079757 -0.000000\n4.079757 0.000000 4.079757\n4.079757 4.079757 -0.000000\nLi Mn F\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.757398 0.000000 0.242603 F\n0.757398 0.514792 0.242603 F\n0.242603 0.000000 0.242603 F\n0.757398 0.000000 0.757398 F\n0.250000 0.500000 0.250000 F\n0.750001 0.500000 0.750001 F\n0.242603 0.000000 0.757398 F\n0.242603 0.485208 0.757398 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.0392550382704737,
"density_atomic": 0.11044813188678114,
"volume": 135.81035499429083,
"volume_molar": 5.452460496274589,
"formula_full": "Li6 Mn1 F8",
"formula_reduced": "Li6MnF8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 0.409355300091954,
"spacegroup": 225
}
]
}