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H\n0.140996 0.173239 0.369234 H\n0.369234 0.140996 0.173239 H\n0.173239 0.369234 0.140996 H\n0.326761 0.630766 0.640996 H\n0.869234 0.359004 0.826761 H\n0.826761 0.869234 0.359004 H\n0.130766 0.859004 0.673239 H\n0.630766 0.640996 0.326761 H\n0.673239 0.130766 0.859004 H\n0.640996 0.326761 0.630766 H\n0.859004 0.673239 0.130766 H\n0.359004 0.826761 0.869234 H\n0.859004 0.826761 0.630766 H\n0.630766 0.859004 0.826761 H\n0.826761 0.630766 0.859004 H\n0.538122 0.274804 0.367242 H\n0.869813 0.144000 0.428099 N\n0.369813 0.356000 0.571901 N\n0.130187 0.644000 0.071901 N\n0.356000 0.571901 0.369813 N\n0.071901 0.130187 0.644000 N\n0.571901 0.369813 0.356000 N\n0.144000 0.428099 0.869813 N\n0.428099 0.869813 0.144000 N\n0.644000 0.071901 0.130187 N\n0.856000 0.928099 0.630187 N\n0.928099 0.630187 0.856000 N\n0.630187 0.856000 0.928099 N\n0.130187 0.856000 0.571901 N\n0.630187 0.644000 0.428099 N\n0.869813 0.356000 0.928099 N\n0.644000 0.428099 0.630187 N\n0.928099 0.869813 0.356000 N\n0.428099 0.630187 0.644000 N\n0.856000 0.571901 0.130187 N\n0.571901 0.130187 0.856000 N\n0.356000 0.928099 0.869813 N\n0.144000 0.071901 0.369813 N\n0.071901 0.369813 0.144000 N\n0.369813 0.144000 0.071901 N\n0.618655 0.141228 0.563052 F\n0.118655 0.358772 0.436948 F\n0.381345 0.641228 0.936948 F\n0.358772 0.436948 0.118655 F\n0.118655 0.141228 0.936948 F\n0.436948 0.118655 0.358772 F\n0.141228 0.563052 0.618655 F\n0.563052 0.618655 0.141228 F\n0.641228 0.936948 0.381345 F\n0.858772 0.063052 0.881345 F\n0.063052 0.881345 0.858772 F\n0.881345 0.858772 0.063052 F\n0.381345 0.858772 0.436948 F\n0.881345 0.641228 0.563052 F\n0.618655 0.358772 0.063052 F\n0.641228 0.563052 0.881345 F\n0.063052 0.618655 0.358772 F\n0.563052 0.881345 0.641228 F\n0.858772 0.436948 0.381345 F\n0.436948 0.381345 0.858772 F\n0.358772 0.063052 0.618655 F\n0.141228 0.936948 0.118655 F\n0.936948 0.118655 0.141228 F\n0.936948 0.381345 0.641228 F\n","nsites":128,"nelements":5,"elements":["Mn","Cr","H","N","F"],"chemical_system":"Cr-F-H-Mn-N","density":2.045282455493825,"density_atomic":0.12198512827766403,"volume":1049.3082378750698,"volume_molar":4.936782741493151,"formula_full":"Mn4 Cr4 H72 N24 F24","formula_reduced":"MnCrH18(NF)6","formula_anonymous":"ABC6D6E18","energy":-708.1517787099999,"energy_per_atom":-5.532435771171874,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-673.73177871,"band_gap":1.052,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.7002372,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.641000Z","spacegroup":205}]}