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O\n0.749389 0.313153 0.687741 O\n0.626014 0.248223 0.562256 O\n0.377987 0.417036 0.771740 O\n0.249472 0.343096 0.657384 O\n0.544860 0.115047 0.736069 O\n0.121204 0.103628 0.708022 O\n0.416118 0.869571 0.797803 O\n0.288571 0.807119 0.673764 O\n0.054172 0.966369 0.874966 O\n0.917001 0.907487 0.757354 O\n0.210547 0.673510 0.847021 O\n0.794738 0.659347 0.817591 O\n0.083785 0.423301 0.908576 O\n0.952288 0.363466 0.784581 O\n0.706470 0.530726 0.992463 O\n0.581963 0.466947 0.868844 O\n0.873720 0.244191 0.951482 O\n0.458963 0.216591 0.931320 O\n0.626619 0.918100 0.894699 O\n0.264676 0.016835 0.980524 O\n","nsites":88,"nelements":3,"elements":["La","Mn","O"],"chemical_system":"La-Mn-O","density":6.339493877384805,"density_atomic":0.08077317371311986,"volume":1089.4706243999708,"volume_molar":7.455619834115585,"formula_full":"La17 Mn17 O54","formula_reduced":"La17Mn17O54","formula_anonymous":"A17B17C54","energy":-764.7939556399999,"energy_per_atom":-8.690840405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-699.33995564,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":61.999292,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.342000Z","spacegroup":1},{"id":"mp-778976","created_at":"2022-09-04T14:44:56.825135Z","structure_string":"Li2 V2 P8 H24 O36\n1.0\n6.015117 4.222595 0.000000\n-6.015117 4.222595 0.000000\n0.000000 1.727843 14.140688\nLi V P H O\n2 2 8 24 36\ndirect\n0.465589 0.534411 0.250000 Li\n0.534411 0.465589 0.750000 Li\n0.864060 0.135940 0.250000 V\n0.135940 0.864060 0.750000 V\n0.982910 0.812073 0.404137 P\n0.812073 0.982910 0.904137 P\n0.798136 0.719015 0.077457 P\n0.719015 0.798136 0.577457 P\n0.280985 0.201864 0.422543 P\n0.201864 0.280985 0.922543 P\n0.187927 0.017090 0.095863 P\n0.017090 0.187927 0.595863 P\n0.482391 0.995390 0.230415 H\n0.995390 0.482391 0.730415 H\n0.517216 0.873212 0.321665 H\n0.873212 0.517216 0.821665 H\n0.890581 0.381811 0.387089 H\n0.381811 0.890581 0.887089 H\n0.466155 0.688095 0.435364 H\n0.688095 0.466155 0.935364 H\n0.347818 0.721820 0.120353 H\n0.770162 0.327664 0.099350 H\n0.721820 0.347818 0.620353 H\n0.327664 0.770162 0.599350 H\n0.672336 0.229838 0.400650 H\n0.278180 0.652182 0.379647 H\n0.229838 0.672336 0.900650 H\n0.652182 0.278180 0.879647 H\n0.311905 0.533845 0.064636 H\n0.533845 0.311905 0.564636 H\n0.618189 0.109419 0.112911 H\n0.109419 0.618189 0.612911 H\n0.126788 0.482784 0.178335 H\n0.482784 0.126788 0.678335 H\n0.004610 0.517609 0.269585 H\n0.517609 0.004610 0.769585 H\n0.885730 0.912886 0.339724 O\n0.912886 0.885730 0.839724 O\n0.720269 0.735458 0.175120 O\n0.735458 0.720269 0.675120 O\n0.723018 0.849034 0.001933 O\n0.849034 0.723018 0.501933 O\n0.568321 0.005813 0.281882 O\n0.005813 0.568321 0.781882 O\n0.353686 0.960791 0.129639 O\n0.755002 0.522369 0.042002 O\n0.960791 0.353686 0.629639 O\n0.522369 0.755002 0.542002 O\n0.419327 0.671006 0.370723 O\n0.173969 0.966688 0.438314 O\n0.671006 0.419327 0.870723 O\n0.966688 0.173969 0.938314 O\n0.809723 0.249358 0.375372 O\n0.249358 0.809723 0.875372 O\n0.750642 0.190277 0.124628 O\n0.190277 0.750642 0.624628 O\n0.033312 0.826031 0.061686 O\n0.328994 0.580673 0.129277 O\n0.826031 0.033312 0.561686 O\n0.580673 0.328994 0.629277 O\n0.477631 0.244998 0.457998 O\n0.039209 0.646314 0.370361 O\n0.244998 0.477631 0.957998 O\n0.646314 0.039209 0.870361 O\n0.994187 0.431679 0.218118 O\n0.431679 0.994187 0.718118 O\n0.150966 0.276982 0.498067 O\n0.276982 0.150966 0.998067 O\n0.264542 0.279731 0.324880 O\n0.279731 0.264542 0.824880 O\n0.087114 0.114270 0.160276 O\n0.114270 0.087114 0.660276 O\n","nsites":72,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.227807969067012,"density_atomic":0.10023247453353476,"volume":718.3300655309171,"volume_molar":6.0081732871766755,"formula_full":"Li2 V2 P8 H24 O36","formula_reduced":"LiVP4(H2O3)6","formula_anonymous":"ABC4D12E18","energy":-463.92495605,"energy_per_atom":-6.443402167361111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-435.79295605,"band_gap":2.9371,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.999018,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.320000Z","spacegroup":15}]}