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0.999896 0.499907 Nb\n0.500004 0.000019 0.999994 Nb\n0.499941 0.999963 0.499980 Cr\n0.250153 0.500055 0.749903 Cr\n0.999993 0.000078 0.000171 Cr\n0.750010 0.499986 0.249892 Cr\n0.066887 0.043486 0.772469 O\n0.566939 0.043495 0.272494 O\n0.433023 0.956474 0.727514 O\n0.933018 0.956480 0.227617 O\n0.477478 0.456468 0.683034 O\n0.977615 0.456474 0.183021 O\n0.022552 0.543491 0.816953 O\n0.522425 0.543467 0.316892 O\n0.271919 0.046525 0.478121 O\n0.771819 0.046521 0.978083 O\n0.228226 0.953542 0.021944 O\n0.728145 0.953569 0.521967 O\n0.271943 0.453548 0.978113 O\n0.771948 0.453549 0.478244 O\n0.228102 0.546508 0.521940 O\n0.728092 0.546519 0.021796 O\n0.155714 0.250495 0.181206 O\n0.655658 0.250386 0.681146 O\n0.344298 0.749570 0.318723 O\n0.844451 0.749549 0.818720 O\n0.068856 0.249629 0.594438 O\n0.568820 0.249587 0.094477 O\n0.431097 0.750319 0.905643 O\n0.931219 0.750520 0.405752 O\n","nsites":40,"nelements":4,"elements":["Ca","Nb","Cr","O"],"chemical_system":"Ca-Cr-Nb-O","density":4.464418512280445,"density_atomic":0.08374068851342059,"volume":477.66504802010854,"volume_molar":7.191415388273133,"formula_full":"Ca8 Nb4 Cr4 O24","formula_reduced":"Ca2NbCrO6","formula_anonymous":"ABC2D6","energy":-338.44702374,"energy_per_atom":-8.4611755935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.96302374,"band_gap":2.7637000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.654000Z","spacegroup":14}]}