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F16","formula_reduced":"ZrMn2H12(O3F4)2","formula_anonymous":"AB2C6D8E12","energy":-346.55652711,"energy_per_atom":-5.97511253637931,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.24852711,"band_gap":3.6889,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0005606,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.543000Z","spacegroup":15},{"id":"mp-1215293","created_at":"2022-09-04T14:42:20.599194Z","structure_string":"Zr3 Mn9\n1.0\n2.435204 -4.217898 0.000000\n2.435204 4.217898 0.000000\n0.000000 0.000000 7.989350\nZr Mn\n3 9\ndirect\n0.666667 0.333333 0.553453 Zr\n0.666667 0.333333 0.935281 Zr\n0.000000 0.000000 0.073783 Zr\n0.333333 0.666667 0.501042 Mn\n0.333333 0.666667 0.003295 Mn\n0.992268 0.496134 0.258004 Mn\n0.503866 0.496134 0.258004 Mn\n0.503866 0.007732 0.258004 Mn\n0.677058 0.838529 0.742967 Mn\n0.161471 0.838529 0.742967 Mn\n0.161471 0.322942 0.742967 Mn\n0.000000 0.000000 0.430284 Mn\n","nsites":12,"nelements":2,"elements":["Zr","Mn"],"chemical_system":"Mn-Zr","density":7.771451531156703,"density_atomic":0.07311531939773977,"volume":164.12429158274261,"volume_molar":8.236496550387994,"formula_full":"Zr3 Mn9","formula_reduced":"ZrMn3","formula_anonymous":"AB3","energy":-108.73935337999998,"energy_per_atom":-9.061612781666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.73935337999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7513328,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.930000Z","spacegroup":156},{"id":"mp-1188045","created_at":"2022-09-04T14:47:58.896062Z","structure_string":"Zr2 Mn6\n1.0\n2.779986 -4.815077 0.000000\n2.779986 4.815077 0.000000\n0.000000 0.000000 4.376830\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.148782 0.297565 0.250000 Mn\n0.702435 0.851218 0.250000 Mn\n0.148782 0.851218 0.250000 Mn\n0.851218 0.702435 0.750000 Mn\n0.297565 0.148782 0.750000 Mn\n0.851218 0.148782 0.750000 Mn\n","nsites":8,"nelements":2,"elements":["Zr","Mn"],"chemical_system":"Mn-Zr","density":7.256851377441457,"density_atomic":0.06827386160183482,"volume":117.17515037680255,"volume_molar":8.8205656142909,"formula_full":"Zr2 Mn6","formula_reduced":"ZrMn3","formula_anonymous":"AB3","energy":-70.89969522,"energy_per_atom":-8.8624619025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.89969522,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.7447853,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.786000Z","spacegroup":194}]}