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O\n0.809427 0.690110 0.691607 O\n0.179537 0.731584 0.827428 O\n0.255675 0.832865 0.736165 O\n0.423249 0.988099 0.069922 O\n0.518057 0.072205 0.988336 O\n0.403453 0.725192 0.345773 O\n0.521540 0.349536 0.727035 O\n0.901165 0.728511 0.850207 O\n0.522383 0.848216 0.725516 O\n","nsites":104,"nelements":6,"elements":["Sr","Re","H","C","N","O"],"chemical_system":"C-H-N-O-Re-Sr","density":3.453876150415731,"density_atomic":0.07768591790429942,"volume":1338.723964465692,"volume_molar":7.751907839228496,"formula_full":"Sr4 Re8 H32 C6 N12 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Sb\n","nsites":4,"nelements":3,"elements":["K","Rb","Sb"],"chemical_system":"K-Rb-Sb","density":2.9260456860266895,"density_atomic":0.02469453767447065,"volume":161.9791410039323,"volume_molar":24.386529682739205,"formula_full":"K2 Rb1 Sb1","formula_reduced":"K2RbSb","formula_anonymous":"ABC2","energy":-9.02002207,"energy_per_atom":-2.2550055175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.82802207,"band_gap":0.6879,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.941000Z","spacegroup":225},{"id":"mp-758910","created_at":"2022-09-04T14:41:06.772600Z","structure_string":"Li12 Fe6 Si12 O36\n1.0\n7.167754 0.000000 0.000000\n0.000000 9.988692 0.000000\n0.000000 0.000000 10.233405\nLi Fe Si O\n12 6 12 36\ndirect\n0.503531 0.511090 0.000000 Li\n0.256344 0.253462 0.000000 Li\n0.700535 0.546663 0.785950 Li\n0.244514 0.492552 0.768626 Li\n0.755486 0.992552 0.731374 Li\n0.299465 0.046663 0.714050 Li\n0.743656 0.753462 0.500000 Li\n0.496469 0.011090 0.500000 Li\n0.299465 0.046663 0.285950 Li\n0.755486 0.992552 0.268626 Li\n0.244514 0.492552 0.231374 Li\n0.700535 0.546663 0.214050 Li\n0.016775 0.982424 0.000000 Fe\n0.750273 0.757639 0.000000 Fe\n0.271368 0.746978 0.000000 Fe\n0.983225 0.482424 0.500000 Fe\n0.728632 0.246978 0.500000 Fe\n0.249727 0.257639 0.500000 Fe\n0.011535 0.467541 0.000000 Si\n0.489437 0.040980 0.000000 Si\n0.980411 0.242507 0.775489 Si\n0.533818 0.258983 0.777209 Si\n0.466182 0.758983 0.722791 Si\n0.019589 0.742507 0.724511 Si\n0.510563 0.540980 0.500000 Si\n0.988465 0.967541 0.500000 Si\n0.019589 0.742507 0.275489 Si\n0.466182 0.758983 0.277209 Si\n0.533818 0.258983 0.222791 Si\n0.980411 0.242507 0.224511 Si\n0.696504 0.976428 0.000000 O\n0.808060 0.536311 0.000000 O\n0.312854 0.938335 0.000000 O\n0.199978 0.558549 0.000000 O\n0.440073 0.146183 0.878042 O\n0.054073 0.364188 0.874929 O\n0.974051 0.796977 0.869988 O\n0.531817 0.709307 0.866943 O\n0.483621 0.409018 0.822717 O\n0.066453 0.100470 0.823275 O\n0.755497 0.222279 0.791412 O\n0.244503 0.722279 0.708588 O\n0.933547 0.600470 0.676725 O\n0.516379 0.909018 0.677283 O\n0.468183 0.209307 0.633057 O\n0.025949 0.296977 0.630012 O\n0.945927 0.864188 0.625071 O\n0.559927 0.646183 0.621958 O\n0.303496 0.476428 0.500000 O\n0.687146 0.438335 0.500000 O\n0.191940 0.036311 0.500000 O\n0.800022 0.058549 0.500000 O\n0.559927 0.646183 0.378042 O\n0.945927 0.864188 0.374929 O\n0.025949 0.296977 0.369988 O\n0.468183 0.209307 0.366943 O\n0.516379 0.909018 0.322717 O\n0.933547 0.600470 0.323275 O\n0.244503 0.722279 0.291412 O\n0.755497 0.222279 0.208588 O\n0.066453 0.100470 0.176725 O\n0.483621 0.409018 0.177283 O\n0.531817 0.709307 0.133057 O\n0.974051 0.796977 0.130012 O\n0.054073 0.364188 0.125071 O\n0.440073 0.146183 0.121958 O\n","nsites":66,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":3.017413394861681,"density_atomic":0.09008076373883579,"volume":732.6758484347303,"volume_molar":6.685268319282382,"formula_full":"Li12 Fe6 Si12 O36","formula_reduced":"Li2Fe(SiO3)2","formula_anonymous":"AB2C2D6","energy":-484.1822279,"energy_per_atom":-7.336094362121212,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-445.9142279,"band_gap":2.8795,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9983602,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.914000Z","spacegroup":31}]}