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Cl\n0.772938 0.691849 0.890687 Cl\n0.227062 0.308151 0.109313 Cl\n0.500000 0.500000 0.500000 O\n","nsites":79,"nelements":5,"elements":["Fe","H","N","Cl","O"],"chemical_system":"Cl-Fe-H-N-O","density":1.1156870925506785,"density_atomic":0.0921424272931087,"volume":857.3683407394715,"volume_molar":6.53568712797562,"formula_full":"Fe2 H54 N18 Cl4 O1","formula_reduced":"Fe2H54N18Cl4O","formula_anonymous":"AB2C4D18E54","energy":-405.88117263,"energy_per_atom":-5.137736362405063,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-391.7281726300001,"band_gap":2.1142,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.001879,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20Z","spacegroup":2},{"id":"mp-1177530","created_at":"2022-09-04T14:47:21.884293Z","structure_string":"Li4 Mn2 Ni3 Sn3 O16\n1.0\n3.040464 5.213655 0.000000\n-3.040464 5.213655 0.000000\n0.000000 0.024264 9.537999\nLi Mn Ni Sn O\n4 2 3 3 16\ndirect\n0.328498 0.328498 0.109245 Li\n0.017858 0.017858 0.011584 Li\n0.012551 0.012551 0.500085 Li\n0.665188 0.665188 0.600357 Li\n0.328897 0.328897 0.511209 Mn\n0.657406 0.657406 0.019426 Mn\n0.169541 0.169541 0.786482 Ni\n0.826620 0.340833 0.287727 Ni\n0.340833 0.826620 0.287727 Ni\n0.659165 0.168828 0.788174 Sn\n0.168828 0.659165 0.788174 Sn\n0.829352 0.829352 0.287985 Sn\n0.663759 0.169171 0.405041 O\n0.480350 0.480350 0.648857 O\n0.329771 0.329771 0.903045 O\n0.002709 0.002709 0.687895 O\n0.009302 0.009302 0.199580 O\n0.169171 0.663759 0.405041 O\n0.478534 0.041470 0.646576 O\n0.041470 0.478534 0.646576 O\n0.832029 0.832029 0.908782 O\n0.174231 0.174231 0.400721 O\n0.952374 0.517401 0.150231 O\n0.517401 0.952374 0.150231 O\n0.657532 0.657532 0.393303 O\n0.826501 0.339796 0.907101 O\n0.519128 0.519128 0.153886 O\n0.339796 0.826501 0.907101 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0.862308 0.581914 Er\n0.862308 0.137692 0.081914 Er\n0.126122 0.873878 0.945520 Mn\n0.873878 0.126122 0.445520 Mn\n0.789843 0.210157 0.635508 S\n0.210157 0.789843 0.135508 S\n0.489568 0.510432 0.996551 S\n0.510432 0.489568 0.496551 S\n0.761597 0.238403 0.895326 S\n0.238403 0.761597 0.395326 S\n0.037679 0.962321 0.768914 S\n0.962321 0.037679 0.268914 S\n","nsites":14,"nelements":3,"elements":["Er","Mn","S"],"chemical_system":"Er-Mn-S","density":5.8247155555753825,"density_atomic":0.047427697324565164,"volume":295.1861631441403,"volume_molar":12.697518748988124,"formula_full":"Er4 Mn2 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