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0.010345 O\n0.752823 0.195335 0.867093 O\n0.771156 0.448019 0.905733 O\n0.734173 0.149405 0.251162 O\n0.747895 0.197261 0.493975 O\n0.592435 0.993085 0.088463 O\n0.062136 0.968366 0.087437 O\n0.449820 0.658921 0.748987 O\n","nsites":70,"nelements":3,"elements":["Fe","H","O"],"chemical_system":"Fe-H-O","density":3.496050915617684,"density_atomic":0.10110460384735272,"volume":692.3522504047955,"volume_molar":5.956346724914923,"formula_full":"Fe16 H20 O34","formula_reduced":"Fe8H10O17","formula_anonymous":"A8B10C17","energy":-470.92323479,"energy_per_atom":-6.727474782714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-411.46923479,"band_gap":1.4497,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.018000Z","spacegroup":1},{"id":"mp-756327","created_at":"2022-09-04T14:47:00.937842Z","structure_string":"Li6 Mn2 P2 C2 O14\n1.0\n5.032073 0.000000 0.000000\n0.887142 6.812406 0.000000\n0.477853 0.843598 8.682297\nLi Mn P C O\n6 2 2 2 14\ndirect\n0.291597 0.104565 0.233053 Li\n0.129087 0.471966 0.210600 Li\n0.457397 0.731750 0.244298 Li\n0.542603 0.268250 0.755702 Li\n0.870913 0.528034 0.789400 Li\n0.708403 0.895435 0.766947 Li\n0.704170 0.253903 0.369228 Mn\n0.295830 0.746097 0.630772 Mn\n0.833245 0.755405 0.414103 P\n0.166755 0.244595 0.585897 P\n0.755326 0.277621 0.060748 C\n0.244674 0.722379 0.939252 C\n0.224907 0.713733 0.086100 O\n0.524428 0.294559 0.136152 O\n0.968181 0.252212 0.144306 O\n0.773924 0.573279 0.334096 O\n0.665436 0.936824 0.329172 O\n0.138631 0.777680 0.405111 O\n0.260601 0.269977 0.412238 O\n0.739399 0.730023 0.587762 O\n0.861369 0.222320 0.594889 O\n0.334564 0.063176 0.670828 O\n0.226076 0.426721 0.665904 O\n0.031819 0.747788 0.855694 O\n0.475572 0.705441 0.863848 O\n0.775093 0.286267 0.913900 O\n","nsites":26,"nelements":5,"elements":["Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-O-P","density":2.574674596448211,"density_atomic":0.08735570128011454,"volume":297.63369326780946,"volume_molar":6.893815368374665,"formula_full":"Li6 Mn2 P2 C2 O14","formula_reduced":"Li3MnPCO7","formula_anonymous":"ABCD3E7","energy":-189.95794903,"energy_per_atom":-7.306074962692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.00394903,"band_gap":3.6579,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.215000Z","spacegroup":2},{"id":"mp-767709","created_at":"2022-09-04T14:46:57.421510Z","structure_string":"Li4 Mn6 Si6 O20\n1.0\n2.456842 8.054337 0.000000\n-2.456842 8.054337 0.000000\n0.000000 0.605255 10.595816\nLi Mn Si O\n4 6 6 20\ndirect\n0.250492 0.864803 0.024866 Li\n0.864803 0.250492 0.524866 Li\n0.135197 0.749508 0.475134 Li\n0.749508 0.135197 0.975134 Li\n0.374533 0.929435 0.292651 Mn\n0.929435 0.374533 0.792651 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.070565 0.625467 0.207349 Mn\n0.625467 0.070565 0.707349 Mn\n0.835527 0.470924 0.099048 Si\n0.470924 0.835527 0.599048 Si\n0.529076 0.164473 0.400952 Si\n0.164473 0.529076 0.900952 Si\n0.798903 0.201097 0.250000 Si\n0.201097 0.798903 0.750000 Si\n0.020305 0.062693 0.359295 O\n0.643205 0.493420 0.183844 O\n0.062693 0.020305 0.859295 O\n0.493420 0.643205 0.683844 O\n0.167032 0.138960 0.102757 O\n0.606268 0.687854 0.460240 O\n0.138960 0.167032 0.602757 O\n0.687854 0.606268 0.960240 O\n0.760910 0.700710 0.165349 O\n0.700710 0.760910 0.665349 O\n0.299290 0.239090 0.334651 O\n0.239090 0.299290 0.834651 O\n0.312146 0.393732 0.039760 O\n0.861040 0.832968 0.397243 O\n0.393732 0.312146 0.539760 O\n0.832968 0.861040 0.897243 O\n0.506581 0.356795 0.316156 O\n0.937307 0.979695 0.140705 O\n0.356795 0.506580 0.816156 O\n0.979695 0.937307 0.640705 O\n","nsites":36,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":3.3496022435662303,"density_atomic":0.08584817603272678,"volume":419.3449606462948,"volume_molar":7.014873277801798,"formula_full":"Li4 Mn6 Si6 O20","formula_reduced":"Li2Mn3Si3O10","formula_anonymous":"A2B3C3D10","energy":-292.52347767,"energy_per_atom":-8.1256521575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-268.77547767,"band_gap":2.5783,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.328000Z","spacegroup":15},{"id":"mp-557434","created_at":"2022-09-04T14:43:23.683127Z","structure_string":"Zr2 Mn2 Tl2 F14\n1.0\n3.392834 -5.600151 0.000000\n3.392834 5.600151 0.000000\n0.000000 0.000000 8.413309\nZr Mn Tl F\n2 2 2 14\ndirect\n0.192636 0.807364 0.750000 Zr\n0.807364 0.192636 0.250000 Zr\n0.812331 0.187669 0.750000 Mn\n0.187669 0.812331 0.250000 Mn\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.447547 0.156250 0.750000 F\n0.804356 0.195644 0.494290 F\n0.474794 0.166601 0.250000 F\n0.833399 0.525206 0.250000 F\n0.525206 0.833399 0.750000 F\n0.195644 0.804356 0.505710 F\n0.195644 0.804356 0.994290 F\n0.007681 0.992319 0.750000 F\n0.156250 0.447547 0.250000 F\n0.804356 0.195644 0.005710 F\n0.992319 0.007681 0.250000 F\n0.166601 0.474794 0.750000 F\n0.843750 0.552453 0.750000 F\n0.552453 0.843750 0.250000 F\n","nsites":20,"nelements":4,"elements":["Zr","Mn","Tl","F"],"chemical_system":"F-Mn-Tl-Zr","density":5.022813771820177,"density_atomic":0.06255626508932556,"volume":319.7121818484772,"volume_molar":9.626758808891234,"formula_full":"Zr2 Mn2 Tl2 F14","formula_reduced":"ZrMnTlF7","formula_anonymous":"ABCD7","energy":-133.92672022,"energy_per_atom":-6.696336011,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.12272022,"band_gap":2.3108,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.170000Z","spacegroup":63}]}