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0.891939 La\n0.250000 0.150688 0.108061 La\n0.250000 0.479709 0.836679 Ga\n0.750000 0.520291 0.163321 Ga\n0.750000 0.479709 0.663321 Ga\n0.250000 0.520291 0.336679 Ga\n0.250000 0.903256 0.346822 S\n0.750000 0.096744 0.653178 S\n0.750000 0.903256 0.153178 S\n0.250000 0.096744 0.846822 S\n0.250000 0.658071 0.011142 S\n0.750000 0.341929 0.988858 S\n0.750000 0.658071 0.488858 S\n0.250000 0.341929 0.511142 S\n0.500000 0.373518 0.250000 O\n0.000000 0.626482 0.750000 O\n0.500000 0.626482 0.750000 O\n0.000000 0.373518 0.250000 O\n","nsites":20,"nelements":4,"elements":["La","Ga","S","O"],"chemical_system":"Ga-La-O-S","density":5.103695044248154,"density_atomic":0.05321962300663568,"volume":375.80123402050975,"volume_molar":11.315639645266051,"formula_full":"La4 Ga4 S8 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0.849029 0.559853 Mn\n0.691148 0.352750 0.034211 Mn\n0.211309 0.955172 0.746020 P\n0.492981 0.540854 0.750949 P\n0.797397 0.248806 0.758734 P\n0.203379 0.762260 0.243348 P\n0.496069 0.448798 0.251282 P\n0.800998 0.050786 0.255953 P\n0.343947 0.140821 0.892208 O\n0.325748 0.482908 0.799882 O\n0.318898 0.843103 0.788558 O\n0.700571 0.566863 0.897389 O\n0.750836 0.199961 0.902821 O\n0.552759 0.731640 0.711778 O\n0.203384 0.005071 0.579805 O\n0.399068 0.382374 0.590477 O\n0.959273 0.461574 0.805264 O\n0.880518 0.132913 0.731908 O\n0.585722 0.189618 0.585826 O\n0.989012 0.838516 0.720240 O\n0.034208 0.158168 0.285984 O\n0.401960 0.816472 0.413139 O\n0.123103 0.887374 0.270357 O\n0.030840 0.551321 0.190095 O\n0.591993 0.593801 0.411290 O\n0.808168 0.025051 0.419989 O\n0.420731 0.246431 0.286305 O\n0.248553 0.807835 0.096966 O\n0.290285 0.424844 0.098977 O\n0.702731 0.169770 0.199089 O\n0.655597 0.492601 0.195614 O\n0.666341 0.863031 0.109257 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Li\n0.251211 0.251211 0.732099 Li\n0.585272 0.585272 0.737427 Li\n0.748789 0.748789 0.267901 Li\n0.414728 0.414728 0.262573 Li\n0.500000 0.500000 0.500000 Li\n0.335634 0.335634 0.998757 Mn\n0.664366 0.664366 0.001243 Mn\n0.839535 0.839535 0.500787 Co\n0.000000 0.000000 0.000000 Co\n0.160465 0.160465 0.499213 Co\n0.792361 0.792361 0.895686 O\n0.945100 0.945100 0.379974 O\n0.135462 0.135462 0.887021 O\n0.451880 0.451880 0.884415 O\n0.627904 0.627904 0.381416 O\n0.284476 0.284476 0.389273 O\n0.054900 0.054900 0.620026 O\n0.207639 0.207639 0.104314 O\n0.372096 0.372096 0.618584 O\n0.715524 0.715524 0.610727 O\n0.864538 0.864538 0.112979 O\n0.548120 0.548120 0.115585 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.035967873438395,"density_atomic":0.11063403362136684,"volume":216.93143795278618,"volume_molar":5.443298560920352,"formula_full":"Li7 Mn2 Co3 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0.441846 0.364479 Zn\n0.868719 0.441846 0.864487 Zn\n0.561831 0.435464 0.115166 Zn\n0.561803 0.435503 0.615188 Zn\n0.128834 0.558354 0.133136 Zn\n0.128848 0.558385 0.633134 Zn\n0.643728 0.997699 0.875232 Cr\n0.354014 0.002423 0.621950 Cr\n0.643812 0.998095 0.375100 Cr\n0.353889 0.002431 0.122258 Cr\n0.201820 0.145755 0.029417 O\n0.201700 0.145769 0.529384 O\n0.017223 0.852239 0.222060 O\n0.017215 0.852274 0.722085 O\n0.795838 0.854639 0.468151 O\n0.795827 0.854571 0.968156 O\n0.980250 0.148094 0.275515 O\n0.980243 0.148095 0.775509 O\n0.439221 0.117263 0.292843 O\n0.439176 0.117148 0.792791 O\n0.286693 0.878067 0.462734 O\n0.286631 0.878064 0.962895 O\n0.558374 0.883271 0.204563 O\n0.558246 0.883250 0.704452 O\n0.711083 0.122264 0.034488 O\n0.711063 0.122355 0.534484 O\n0.286570 0.360984 0.213629 O\n0.286577 0.360945 0.713642 O\n0.918823 0.641141 0.034178 O\n0.918822 0.641159 0.534195 O\n0.078931 0.359359 0.463569 O\n0.078892 0.359311 0.963563 O\n0.710733 0.639493 0.284051 O\n0.710721 0.639542 0.784047 O\n0.842930 0.387778 0.178241 O\n0.842926 0.387825 0.678255 O\n0.450500 0.612877 0.069593 O\n0.450483 0.612904 0.569599 O\n0.154142 0.612341 0.319394 O\n0.154141 0.612349 0.819396 O\n0.547130 0.387395 0.428027 O\n0.547126 0.387358 0.927995 O\n","nsites":52,"nelements":4,"elements":["Ta","Zn","Cr","O"],"chemical_system":"Cr-O-Ta-Zn","density":7.147249118995582,"density_atomic":0.08317800126719309,"volume":625.1652986101476,"volume_molar":7.240064281726426,"formula_full":"Ta8 Zn8 Cr4 O32","formula_reduced":"Ta2Zn2CrO8","formula_anonymous":"AB2C2D8","energy":-439.58386912,"energy_per_atom":-8.453535944615384,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-409.60386912,"band_gap":1.6847000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.261000Z","spacegroup":2}]}