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Cd\n0.641660 0.918208 0.250000 Cd\n0.500000 0.000000 0.000000 Cd\n0.877477 0.438739 0.645430 Cd\n0.328971 0.963931 0.602524 Cd\n0.000000 0.500000 0.000000 Cd\n0.092537 0.185075 0.344304 Cd\n0.399689 0.600311 0.948072 Cd\n0.234872 0.469744 0.658422 Cd\n0.723452 0.641660 0.750000 Cd\n0.399689 0.799379 0.551928 Cd\n0.465317 0.732659 0.250000 Cd\n","nsites":142,"nelements":2,"elements":["Nd","Cd"],"chemical_system":"Cd-Nd","density":8.052012637600848,"density_atomic":0.04101038310543387,"volume":3462.5377586678783,"volume_molar":14.684429415149912,"formula_full":"Nd26 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N\n","nsites":5,"nelements":3,"elements":["Li","Zr","N"],"chemical_system":"Li-N-Zr","density":4.272989517495178,"density_atomic":0.0966521196356544,"volume":51.73192288848189,"volume_molar":6.230738428398074,"formula_full":"Li2 Zr1 N2","formula_reduced":"Li2ZrN2","formula_anonymous":"AB2C2","energy":-35.34311945,"energy_per_atom":-7.0686238900000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.62111945,"band_gap":1.6004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.806000Z","spacegroup":164},{"id":"mp-23690","created_at":"2022-09-04T14:41:52.571041Z","structure_string":"Ca2 H8 S2 O12\n1.0\n7.542761 3.205336 0.000000\n-7.542761 3.205336 0.000000\n0.000000 2.365767 5.256329\nCa H S O\n2 8 2 12\ndirect\n0.329921 0.670079 0.250000 Ca\n0.670079 0.329921 0.750000 Ca\n0.247457 0.260807 0.590011 H\n0.739193 0.752543 0.909989 H\n0.752543 0.739193 0.409989 H\n0.260807 0.247457 0.090011 H\n0.840044 0.659949 0.242351 H\n0.340051 0.159956 0.257649 H\n0.159956 0.340051 0.757649 H\n0.659949 0.840044 0.742351 H\n0.828551 0.171449 0.250000 S\n0.171449 0.828551 0.750000 S\n0.082037 0.312928 0.084205 O\n0.313509 0.858297 0.904751 O\n0.686491 0.141703 0.095249 O\n0.858297 0.313509 0.404751 O\n0.362742 0.222783 0.080902 O\n0.777217 0.637258 0.419098 O\n0.637258 0.777217 0.919098 O\n0.222783 0.362742 0.580902 O\n0.917963 0.687072 0.915795 O\n0.312928 0.082037 0.584205 O\n0.141703 0.686491 0.595249 O\n0.687072 0.917963 0.415795 O\n","nsites":24,"nelements":4,"elements":["Ca","H","S","O"],"chemical_system":"Ca-H-O-S","density":2.249691950767066,"density_atomic":0.09442669677435046,"volume":254.1654089346396,"volume_molar":6.377582787197339,"formula_full":"Ca2 H8 S2 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