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Ti\n0.868664 0.719094 0.211514 Ti\n0.571135 0.146855 0.827654 Ti\n0.036806 0.075920 0.392689 Ti\n0.864383 0.479568 0.380218 Ti\n0.253460 0.691022 0.199694 Ti\n0.799069 0.046806 0.733962 Ti\n0.662733 0.821381 0.381786 Ti\n0.556859 0.884977 0.192315 Ti\n0.647001 0.185520 0.575609 Ti\n0.374405 0.852307 0.359802 Ti\n0.881135 0.244026 0.478640 Ti\n0.376077 0.304629 0.901570 Ti\n0.818218 0.550432 0.796641 Ti\n0.325509 0.136077 0.709078 Ti\n0.104942 0.853480 0.302648 Ti\n0.395505 0.174398 0.156782 Ti\n0.090476 0.690534 0.982299 Ti\n0.157168 0.911753 0.800570 Ti\n0.727424 0.405332 0.625878 Ti\n0.500595 0.967171 0.995160 Ti\n0.922695 0.569638 0.603096 Ti\n0.269490 0.871999 0.036700 Ti\n0.087797 0.424208 0.505063 Ti\n0.599182 0.725532 0.795131 Ti\n0.259968 0.485276 0.286248 Ti\n0.803672 0.152432 0.254068 Ti\n0.695343 0.376268 0.889717 Ti\n0.276173 0.535574 0.976800 Ti\n0.035862 0.137042 0.124465 Ti\n0.356865 0.368629 0.455589 Ti\n0.724054 0.019921 0.051932 Ti\n0.807310 0.998873 0.491060 Ti\n0.252270 0.027326 0.257588 Ti\n0.590650 0.241499 0.079885 Ti\n0.469987 0.706315 0.039201 Ti\n0.471352 0.628209 0.336592 Ti\n0.594975 0.398747 0.386392 Ti\n0.177531 0.227396 0.553125 Ti\n0.336372 0.711320 0.804517 Ti\n0.210872 0.111567 0.415195 O\n0.638637 0.517445 0.762549 O\n0.531719 0.371109 0.964095 O\n0.931562 0.738294 0.662539 O\n0.809876 0.215253 0.649830 O\n0.436365 0.460585 0.316621 O\n0.966145 0.922020 0.407837 O\n0.229293 0.399133 0.862476 O\n0.915274 0.752929 0.024162 O\n0.288352 0.703407 0.001082 O\n0.739645 0.150238 0.425783 O\n0.097733 0.494387 0.006153 O\n0.470738 0.823622 0.715291 O\n0.691849 0.998613 0.253426 O\n0.197686 0.812601 0.647347 O\n0.127137 0.800712 0.125106 O\n0.954692 0.602325 0.297437 O\n0.210816 0.175241 0.142196 O\n0.406247 0.108024 0.878164 O\n0.350680 0.017066 0.093315 O\n0.898343 0.450969 0.138737 O\n0.515617 0.252512 0.458172 O\n0.767297 0.711396 0.860744 O\n0.904034 0.402363 0.551000 O\n0.620971 0.289700 0.733728 O\n","nsites":100,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.553156196297881,"density_atomic":0.06872099951089773,"volume":1455.1592775384772,"volume_molar":8.763173997556617,"formula_full":"Ti75 O25","formula_reduced":"Ti3O","formula_anonymous":"AB3","energy":-837.7727757399999,"energy_per_atom":-8.377727757399999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-820.59777574,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9823368,"is_theoretical":true,"updated_at":"2021-11-28T01:38:40.466000Z","spacegroup":1}]}