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Cl\n","nsites":6,"nelements":3,"elements":["Th","N","Cl"],"chemical_system":"Cl-N-Th","density":7.9102704693946135,"density_atomic":0.05076782376473747,"volume":118.18509353098379,"volume_molar":11.862121149622498,"formula_full":"Th2 N2 Cl2","formula_reduced":"ThNCl","formula_anonymous":"ABC","energy":-49.81447913000001,"energy_per_atom":-8.302413188333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.86447913,"band_gap":2.4963,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.46e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.390000Z","spacegroup":129},{"id":"mp-780511","created_at":"2022-09-04T14:47:27.436852Z","structure_string":"Mn12 O5 F19\n1.0\n5.018674 0.000000 0.000000\n0.533000 5.583251 0.000000\n0.393009 0.618533 15.733185\nMn O F\n12 5 19\ndirect\n0.985537 0.064871 0.002633 Mn\n0.986487 0.438696 0.847017 Mn\n0.035765 0.091648 0.660808 Mn\n0.999979 0.442485 0.495851 Mn\n0.946963 0.016716 0.334379 Mn\n0.008140 0.460394 0.176725 Mn\n0.500313 0.951481 0.821452 Mn\n0.491880 0.569373 0.000228 Mn\n0.526353 0.558745 0.345559 Mn\n0.498488 0.936747 0.498646 Mn\n0.488046 0.603296 0.670613 Mn\n0.455738 0.938392 0.153452 Mn\n0.275588 0.857115 0.719240 O\n0.213109 0.148781 0.552366 O\n0.248900 0.822544 0.049990 O\n0.748215 0.706148 0.441791 O\n0.767148 0.340493 0.953400 O\n0.222805 0.128780 0.900680 F\n0.270067 0.860093 0.401132 F\n0.215171 0.147877 0.234748 F\n0.304453 0.623617 0.889134 F\n0.269317 0.349470 0.736130 F\n0.201720 0.364371 0.387237 F\n0.264246 0.318247 0.069393 F\n0.277716 0.660969 0.234135 F\n0.284422 0.638876 0.561241 F\n0.715007 0.631707 0.098425 F\n0.740126 0.648045 0.765893 F\n0.778481 0.386254 0.614840 F\n0.728041 0.307069 0.268754 F\n0.718323 0.888728 0.606056 F\n0.749651 0.840671 0.928952 F\n0.752260 0.793786 0.257195 F\n0.722535 0.203066 0.440841 F\n0.795976 0.113896 0.111371 F\n0.813031 0.146556 0.769692 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