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O\n","nsites":98,"nelements":6,"elements":["Na","H","Ru","S","N","O"],"chemical_system":"H-N-Na-O-Ru-S","density":2.1193005048181326,"density_atomic":0.09512101575171712,"volume":1030.2665423148712,"volume_molar":6.331030753202706,"formula_full":"Na8 H40 Ru2 S8 N4 O36","formula_reduced":"Na4H20RuS4(NO9)2","formula_anonymous":"AB2C4D4E18F20","energy":-543.67451568,"energy_per_atom":-5.5476991395918365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-517.49851568,"band_gap":3.3169,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001238,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.766000Z","spacegroup":14},{"id":"mp-1185856","created_at":"2022-09-04T14:41:06.022388Z","structure_string":"Mg1 Cu3\n1.0\n-1.865888 1.865888 3.821322\n1.865888 -1.865888 3.821322\n1.865888 1.865888 -3.821322\nMg Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n","nsites":4,"nelements":2,"elements":["Mg","Cu"],"chemical_system":"Cu-Mg","density":6.706989621642641,"density_atomic":0.07516492389396108,"volume":53.21631144924726,"volume_molar":8.011902956884166,"formula_full":"Mg1 Cu3","formula_reduced":"MgCu3","formula_anonymous":"AB3","energy":-14.1106391,"energy_per_atom":-3.527659775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.1106391,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000531,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.160000Z","spacegroup":139},{"id":"mp-685871","created_at":"2022-09-04T14:41:05.717385Z","structure_string":"Pr4 Fe20 Sb60\n1.0\n13.730072 -6.467501 0.000000\n13.730072 6.467501 0.000000\n10.683579 0.000000 10.779823\nPr Fe Sb\n4 20 60\ndirect\n0.200257 0.200257 0.200257 Pr\n0.399956 0.399956 0.399956 Pr\n0.600044 0.600044 0.600044 Pr\n0.799743 0.799743 0.799743 Pr\n0.100944 0.100944 0.100944 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.300097 0.300097 0.300097 Fe\n0.697102 0.201858 0.201995 Fe\n0.201995 0.697102 0.201858 Fe\n0.600174 0.599837 0.100370 Fe\n0.500000 0.500000 0.500000 Fe\n0.899630 0.399826 0.400163 Fe\n0.400163 0.899630 0.399826 Fe\n0.798142 0.798005 0.302898 Fe\n0.699903 0.699903 0.699903 Fe\n0.100370 0.600174 0.599837 Fe\n0.599837 0.100370 0.600174 Fe\n0.000000 0.000000 0.500000 Fe\n0.899056 0.899056 0.899056 Fe\n0.302898 0.798142 0.798005 Fe\n0.798005 0.302898 0.798142 Fe\n0.201858 0.201995 0.697102 Fe\n0.399826 0.400163 0.899630 Fe\n0.502235 0.165074 0.002091 Sb\n0.263130 0.437032 0.099868 Sb\n0.193938 0.704182 0.034071 Sb\n0.499475 0.336194 0.165105 Sb\n0.434615 0.597513 0.099695 Sb\n0.231786 0.902066 0.062128 Sb\n0.700297 0.365721 0.202466 Sb\n0.463648 0.635135 0.300328 Sb\n0.965101 0.299764 0.136050 Sb\n0.765727 0.602482 0.100345 Sb\n0.397518 0.899655 0.234273 Sb\n0.700236 0.863950 0.034899 Sb\n0.699672 0.536352 0.364865 Sb\n0.002091 0.502235 0.165074 Sb\n0.634279 0.797534 0.299703 Sb\n0.437032 0.099868 0.263130 Sb\n0.937872 0.768214 0.097934 Sb\n0.900305 0.565385 0.402487 Sb\n0.704182 0.034071 0.193938 Sb\n0.663806 0.834895 0.500525 Sb\n0.165105 0.499475 0.336194 Sb\n0.965929 0.806062 0.295818 Sb\n0.597513 0.099695 0.434615 Sb\n0.902066 0.062128 0.231786 Sb\n0.900132 0.736870 0.562968 Sb\n0.202466 0.700297 0.365721 Sb\n0.834926 0.997909 0.497765 Sb\n0.635135 0.300328 0.463648 Sb\n0.136050 0.965101 0.299764 Sb\n0.100345 0.765727 0.602482 Sb\n0.899655 0.234273 0.397518 Sb\n0.863950 0.034899 0.700236 Sb\n0.364865 0.699672 0.536352 Sb\n0.165074 0.002091 0.502235 Sb\n0.797534 0.299703 0.634279 Sb\n0.099868 0.263130 0.437032 Sb\n0.097934 0.937872 0.768214 Sb\n0.402487 0.900305 0.565385 Sb\n0.034071 0.193938 0.704182 Sb\n0.834895 0.500525 0.663806 Sb\n0.336194 0.165105 0.499475 Sb\n0.295818 0.965929 0.806062 Sb\n0.099695 0.434615 0.597513 Sb\n0.062128 0.231786 0.902066 Sb\n0.562968 0.900132 0.736870 Sb\n0.365721 0.202466 0.700297 Sb\n0.997909 0.497765 0.834926 Sb\n0.300328 0.463648 0.635135 Sb\n0.299764 0.136050 0.965101 Sb\n0.602482 0.100345 0.765727 Sb\n0.234273 0.397518 0.899655 Sb\n0.034899 0.700236 0.863950 Sb\n0.536352 0.364865 0.699672 Sb\n0.299703 0.634279 0.797534 Sb\n0.768214 0.097934 0.937872 Sb\n0.565385 0.402487 0.900305 Sb\n0.500525 0.663806 0.834895 Sb\n0.806062 0.295818 0.965929 Sb\n0.736870 0.562968 0.900132 Sb\n0.497765 0.834926 0.997909 Sb\n","nsites":84,"nelements":3,"elements":["Pr","Fe","Sb"],"chemical_system":"Fe-Pr-Sb","density":7.794188031187314,"density_atomic":0.04387613269046843,"volume":1914.4804897138986,"volume_molar":13.72532260872718,"formula_full":"Pr4 Fe20 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Ce\n0.504428 0.008856 0.250000 Ce\n0.991144 0.495572 0.250000 Ce\n0.495572 0.504428 0.750000 Ce\n0.495572 0.991144 0.750000 Ce\n0.008856 0.504428 0.750000 Ce\n0.165513 0.834487 0.500792 Si\n0.165513 0.331027 0.500792 Si\n0.668973 0.834487 0.500792 Si\n0.834487 0.165513 0.499208 Si\n0.834487 0.668973 0.499208 Si\n0.331027 0.165513 0.499208 Si\n0.834487 0.165513 0.000792 Si\n0.834487 0.668973 0.000792 Si\n0.331027 0.165513 0.000792 Si\n0.165513 0.834487 0.999208 Si\n0.165513 0.331027 0.999208 Si\n0.668973 0.834487 0.999208 Si\n0.333333 0.666667 0.474817 Rh\n0.666667 0.333333 0.525183 Rh\n0.666667 0.333333 0.974817 Rh\n0.333333 0.666667 0.025183 Rh\n","nsites":24,"nelements":3,"elements":["Ce","Si","Rh"],"chemical_system":"Ce-Rh-Si","density":6.476697915453545,"density_atomic":0.050069431597759444,"volume":479.3343809613764,"volume_molar":12.027579638570302,"formula_full":"Ce8 Si12 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