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O16\n1.0\n-0.000197 6.637602 -0.000101\n7.480171 -0.000224 -0.364373\n-3.902745 0.000201 -8.253932\nMn V Pb O\n2 4 4 16\ndirect\n0.499927 0.000256 0.999836 Mn\n0.999450 0.999451 0.000054 Mn\n0.250024 0.554494 0.847986 V\n0.749936 0.445640 0.152026 V\n0.249948 0.954510 0.665646 V\n0.749944 0.045479 0.334393 V\n0.250050 0.735300 0.261150 Pb\n0.749960 0.264384 0.738731 Pb\n0.250370 0.351911 0.476438 Pb\n0.750372 0.648062 0.523577 Pb\n0.249769 0.711703 0.540779 O\n0.749849 0.288359 0.459255 O\n0.250054 0.070039 0.534743 O\n0.749986 0.930073 0.465355 O\n0.250116 0.455952 0.986488 O\n0.749958 0.544156 0.013511 O\n0.249873 0.813044 0.953077 O\n0.749848 0.187104 0.046922 O\n0.472617 0.012294 0.780785 O\n0.527689 0.987659 0.218916 O\n0.972518 0.987685 0.219178 O\n0.027607 0.012357 0.781084 O\n0.457311 0.476103 0.717546 O\n0.542737 0.524082 0.282560 O\n0.957253 0.523977 0.282433 O\n0.042835 0.475925 0.717530 O\n","nsites":26,"nelements":4,"elements":["Mn","V","Pb","O"],"chemical_system":"Mn-O-Pb-V","density":5.538823004196642,"density_atomic":0.06201549754294223,"volume":419.2500428138381,"volume_molar":9.710702967157536,"formula_full":"Mn2 V4 Pb4 O16","formula_reduced":"MnV2(PbO4)2","formula_anonymous":"AB2C2D8","energy":-203.06322207,"energy_per_atom":-7.810123925769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.93522207,"band_gap":1.646,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0001671,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.743000Z","spacegroup":11}]}