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O\n0.428982 0.402958 0.843954 O\n0.597042 0.571018 0.656046 O\n0.420673 0.387065 0.062969 O\n0.612935 0.579327 0.437031 O\n0.579327 0.612935 0.937031 O\n0.387065 0.420673 0.562969 O\n0.466145 0.016178 0.093709 O\n0.983822 0.533855 0.406291 O\n0.533855 0.983822 0.906291 O\n0.016178 0.466145 0.593709 O\n0.785339 0.299796 0.004837 O\n0.700204 0.214661 0.495163 O\n0.214661 0.700204 0.995163 O\n0.299796 0.785339 0.504837 O\n0.097708 0.023481 0.067077 O\n0.976519 0.902292 0.432923 O\n0.902292 0.976519 0.932923 O\n0.023481 0.097708 0.567077 O\n0.976485 0.248015 0.320109 O\n0.751985 0.023515 0.179891 O\n0.023515 0.751985 0.679891 O\n0.248015 0.976485 0.820109 O\n0.791916 0.929311 0.285455 O\n0.070689 0.208084 0.214545 O\n0.208084 0.070689 0.714545 O\n0.929311 0.791916 0.785455 O\n0.279674 0.806189 0.298734 O\n0.193811 0.720326 0.201266 O\n0.720326 0.193811 0.701266 O\n0.806189 0.279674 0.798734 O\n0.820653 0.848474 0.159255 O\n0.151526 0.179347 0.340745 O\n0.179347 0.151526 0.840745 O\n0.848474 0.820653 0.659255 O\n","nsites":96,"nelements":4,"elements":["Mg","H","S","O"],"chemical_system":"H-Mg-O-S","density":1.3125362607176332,"density_atomic":0.08303566167986377,"volume":1156.1297647042186,"volume_molar":7.252475187369255,"formula_full":"Mg4 H48 S4 O40","formula_reduced":"MgH12SO10","formula_anonymous":"ABC10D12","energy":-494.57845084,"energy_per_atom":-5.151858862916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-467.09845084000005,"band_gap":0.4721999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.000038,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.028000Z","spacegroup":15},{"id":"mp-1212070","created_at":"2022-09-04T14:40:26.035726Z","structure_string":"La46 Cd8 Rh14\n1.0\n5.069013 -8.779788 0.000000\n5.069013 8.779788 0.000000\n0.000000 0.000000 23.069589\nLa Cd Rh\n46 8 14\ndirect\n0.207088 0.414176 0.719269 La\n0.207088 0.792912 0.719269 La\n0.792912 0.585824 0.219269 La\n0.585824 0.792912 0.719269 La\n0.792912 0.207088 0.219269 La\n0.414176 0.207088 0.219269 La\n0.793507 0.587014 0.947839 La\n0.793507 0.206493 0.947839 La\n0.206493 0.412986 0.447839 La\n0.412986 0.206493 0.947839 La\n0.206493 0.793507 0.447839 La\n0.587014 0.793507 0.447839 La\n0.209629 0.419258 0.990273 La\n0.209629 0.790371 0.990273 La\n0.790371 0.580742 0.490273 La\n0.580742 0.790371 0.990273 La\n0.790371 0.209629 0.490273 La\n0.419258 0.209629 0.490273 La\n0.872395 0.744789 0.634873 La\n0.872395 0.127605 0.634873 La\n0.127605 0.255211 0.134873 La\n0.255211 0.127605 0.634873 La\n0.127605 0.872395 0.134873 La\n0.744789 0.872395 0.134873 La\n0.459217 0.918435 0.856097 La\n0.459217 0.540783 0.856097 La\n0.540783 0.081565 0.356097 La\n0.081565 0.540783 0.856097 La\n0.540783 0.459217 0.356097 La\n0.918435 0.459217 0.356097 La\n0.000000 0.000000 0.999261 La\n0.000000 0.000000 0.499261 La\n0.459414 0.918827 0.585279 La\n0.459414 0.540586 0.585279 La\n0.540586 0.081173 0.085279 La\n0.081173 0.540586 0.585279 La\n0.540586 0.459414 0.085279 La\n0.918827 0.459414 0.085279 La\n0.796640 0.593280 0.781744 La\n0.796640 0.203360 0.781744 La\n0.203360 0.406720 0.281744 La\n0.406720 0.203360 0.781744 La\n0.203360 0.796640 0.281744 La\n0.593280 0.796640 0.281744 La\n0.666667 0.333333 0.645541 La\n0.333333 0.666667 0.145541 La\n0.000000 0.000000 0.749398 Cd\n0.000000 0.000000 0.249398 Cd\n0.106251 0.212502 0.863103 Cd\n0.106251 0.893749 0.863103 Cd\n0.893749 0.787498 0.363103 Cd\n0.787498 0.893749 0.863103 Cd\n0.893749 0.106251 0.363103 Cd\n0.212502 0.106251 0.363103 Cd\n0.520246 0.040491 0.710675 Rh\n0.520246 0.479754 0.710675 Rh\n0.479754 0.959509 0.210675 Rh\n0.959509 0.479754 0.710675 Rh\n0.479754 0.520246 0.210675 Rh\n0.040491 0.520246 0.210675 Rh\n0.666667 0.333333 0.865540 Rh\n0.333333 0.666667 0.365540 Rh\n0.144176 0.288353 0.563175 Rh\n0.144176 0.855824 0.563175 Rh\n0.855824 0.711647 0.063175 Rh\n0.711647 0.855824 0.563175 Rh\n0.855824 0.144176 0.063175 Rh\n0.288353 0.144176 0.063175 Rh\n","nsites":68,"nelements":3,"elements":["La","Cd","Rh"],"chemical_system":"Cd-La-Rh","density":7.059386842964739,"density_atomic":0.03311552352957242,"volume":2053.4176347620014,"volume_molar":18.185250052357414,"formula_full":"La46 Cd8 Rh14","formula_reduced":"La23Cd4Rh7","formula_anonymous":"A4B7C23","energy":-369.52989125,"energy_per_atom":-5.434263106617647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-369.52989125,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.459429,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.072000Z","spacegroup":186}]}