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0.457852 P\n0.101908 0.187031 0.340227 P\n0.085123 0.898092 0.340227 P\n0.812969 0.914877 0.340227 P\n0.914877 0.812969 0.840227 P\n0.187031 0.101908 0.840227 P\n0.898092 0.085123 0.840227 P\n0.000000 0.000000 0.202020 P\n0.000000 0.000000 0.702020 P\n0.500398 0.624645 0.180436 S\n0.124247 0.499602 0.180436 S\n0.375355 0.875753 0.180436 S\n0.875753 0.375355 0.680436 S\n0.624645 0.500398 0.680436 S\n0.499602 0.124247 0.680436 S\n0.317551 0.396551 0.106697 S\n0.079000 0.682449 0.106697 S\n0.603449 0.921000 0.106697 S\n0.921000 0.603449 0.606697 S\n0.396551 0.317551 0.606697 S\n0.682449 0.079000 0.606697 S\n0.548640 0.586105 0.037323 S\n0.037466 0.451360 0.037323 S\n0.413895 0.962534 0.037323 S\n0.962534 0.413895 0.537323 S\n0.586105 0.548640 0.537323 S\n0.451360 0.037466 0.537323 S\n0.287058 0.510965 0.918410 S\n0.223907 0.712942 0.918410 S\n0.489035 0.776093 0.918410 S\n0.776093 0.489035 0.418410 S\n0.510965 0.287058 0.418410 S\n0.712942 0.223907 0.418410 S\n0.190288 0.215352 0.422657 S\n0.025064 0.809712 0.422657 S\n0.784648 0.974936 0.422657 S\n0.974936 0.784648 0.922657 S\n0.215352 0.190288 0.922657 S\n0.809712 0.025064 0.922657 S\n0.995430 0.252235 0.356972 S\n0.256805 0.004570 0.356972 S\n0.747765 0.743195 0.356972 S\n0.743195 0.747765 0.856972 S\n0.252235 0.995430 0.856972 S\n0.004570 0.256805 0.856972 S\n0.222855 0.304808 0.280511 S\n0.081953 0.777145 0.280511 S\n0.695192 0.918047 0.280511 S\n0.918047 0.695192 0.780511 S\n0.304808 0.222855 0.780511 S\n0.777145 0.081953 0.780511 S\n0.146076 0.017973 0.161918 S\n0.871897 0.853924 0.161918 S\n0.982027 0.128103 0.161918 S\n0.128103 0.982027 0.661918 S\n0.017973 0.146076 0.661918 S\n0.853924 0.871897 0.661918 S\n0.666667 0.333333 0.181891 Cl\n0.333333 0.666667 0.681891 Cl\n0.333333 0.666667 0.430994 Cl\n0.666667 0.333333 0.930994 Cl\n","nsites":120,"nelements":5,"elements":["Cu","As","P","S","Cl"],"chemical_system":"As-Cl-Cu-P-S","density":2.76743877932912,"density_atomic":0.033182859477649075,"volume":3616.324870399678,"volume_molar":18.148347836196347,"formula_full":"Cu4 As48 P16 S48 Cl4","formula_reduced":"CuAs12P4S12Cl","formula_anonymous":"ABC4D12E12","energy":-582.6986503,"energy_per_atom":-4.855822085833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-556.0986503,"band_gap":2.2937,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.087319,"is_theoretical":false,"updated_at":"2021-11-28T01:37:25.769000Z","spacegroup":159},{"id":"mp-697730","created_at":"2022-09-04T14:40:54.853387Z","structure_string":"Mn6 P8 O32\n1.0\n6.322223 -0.001986 -0.000617\n3.151445 9.494155 0.287381\n0.000137 0.027008 10.889864\nMn P O\n6 8 32\ndirect\n0.365168 0.307498 0.251154 Mn\n0.634832 0.692502 0.748846 Mn\n0.000000 0.500000 0.000000 Mn\n0.327264 0.307556 0.750696 Mn\n0.672736 0.692444 0.249304 Mn\n0.500000 0.500000 0.500000 Mn\n0.422298 0.827795 0.490517 P\n0.577702 0.172205 0.509483 P\n0.780066 0.402269 0.754939 P\n0.219934 0.597731 0.245061 P\n0.250015 0.172210 0.009178 P\n0.182469 0.597678 0.745204 P\n0.817531 0.402322 0.254796 P\n0.749985 0.827790 0.990822 P\n0.368128 0.166293 0.882201 O\n0.731158 0.513050 0.359581 O\n0.631872 0.833707 0.117799 O\n0.465482 0.166145 0.382295 O\n0.534518 0.833855 0.617705 O\n0.941943 0.689875 0.721884 O\n0.767301 0.035414 0.532900 O\n0.243860 0.487169 0.140210 O\n0.962693 0.696047 0.991984 O\n0.788240 0.518933 0.145636 O\n0.327121 0.690220 0.769748 O\n0.341776 0.696068 0.491882 O\n0.412375 0.185862 0.113692 O\n0.658224 0.303932 0.508118 O\n0.268842 0.486950 0.640419 O\n0.058057 0.310125 0.278116 O\n0.692653 0.519067 0.645802 O\n0.672879 0.309780 0.230252 O\n0.307347 0.480933 0.354198 O\n0.587625 0.814138 0.886308 O\n0.401300 0.185986 0.613894 O\n0.982901 0.690170 0.269696 O\n0.598700 0.814014 0.386106 O\n0.197270 0.035671 0.033099 O\n0.211760 0.481067 0.854364 O\n0.037307 0.303953 0.008016 O\n0.017099 0.309830 0.730304 O\n0.368324 0.689822 0.221721 O\n0.232699 0.964586 0.467100 O\n0.802730 0.964329 0.966901 O\n0.631676 0.310178 0.778279 O\n0.756140 0.512831 0.859790 O\n","nsites":46,"nelements":3,"elements":["Mn","P","O"],"chemical_system":"Mn-O-P","density":2.767418915744528,"density_atomic":0.07037146638314347,"volume":653.6740296066741,"volume_molar":8.55764569010391,"formula_full":"Mn6 P8 O32","formula_reduced":"Mn3(PO4)4","formula_anonymous":"A3B4C16","energy":-358.55980505,"energy_per_atom":-7.794778370652175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-326.56780505,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.005038,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.050000Z","spacegroup":15}]}