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O\n0.831070 0.227462 0.959771 O\n0.168930 0.272538 0.459771 O\n0.331070 0.772538 0.540229 O\n0.331070 0.272538 0.959771 O\n0.168930 0.772538 0.040229 O\n0.831070 0.727462 0.540229 O\n0.668930 0.227462 0.459771 O\n0.952347 0.993872 0.135451 O\n0.547653 0.493872 0.864549 O\n0.452347 0.006128 0.364549 O\n0.047653 0.506128 0.635451 O\n0.047653 0.006128 0.864549 O\n0.452347 0.506128 0.135451 O\n0.547653 0.993872 0.635451 O\n0.952347 0.493872 0.364549 O\n0.618726 0.958167 0.174060 O\n0.881274 0.458167 0.825940 O\n0.118726 0.041833 0.325940 O\n0.381274 0.541833 0.674060 O\n0.381274 0.041833 0.825940 O\n0.118726 0.541833 0.174060 O\n0.881274 0.958167 0.674060 O\n0.618726 0.458167 0.325940 O\n0.782690 0.935666 0.898090 O\n0.717310 0.435666 0.101910 O\n0.282690 0.064334 0.601910 O\n0.217310 0.564334 0.398090 O\n0.217310 0.064334 0.101910 O\n0.282690 0.564334 0.898090 O\n0.717310 0.935666 0.398090 O\n0.782690 0.435666 0.601910 O\n","nsites":96,"nelements":4,"elements":["In","As","H","O"],"chemical_system":"As-H-In-O","density":3.2175755432782958,"density_atomic":0.0802436799770335,"volume":1196.3559002712252,"volume_molar":7.50481628176025,"formula_full":"In8 As8 H32 O48","formula_reduced":"InAs(H2O3)2","formula_anonymous":"ABC4D6","energy":-527.13430708,"energy_per_atom":-5.4909823654166665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-494.15830708,"band_gap":2.8449,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010216,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.594000Z","spacegroup":61},{"id":"mp-765725","created_at":"2022-09-04T14:42:09.404869Z","structure_string":"Na3 Li5 Mn5 O9\n1.0\n5.892818 0.000000 0.000000\n2.942600 5.122639 0.000000\n1.084411 1.509082 8.855563\nNa Li Mn O\n3 5 5 9\ndirect\n0.079020 0.467840 0.433544 Na\n0.394031 0.770277 0.426311 Na\n0.727550 0.120859 0.440561 Na\n0.016251 0.922126 0.181322 Li\n0.387547 0.406150 0.652130 Li\n0.709238 0.732740 0.636226 Li\n0.064445 0.066315 0.625970 Li\n0.368596 0.618387 0.034660 Li\n0.018705 0.682675 0.851676 Mn\n0.414550 0.170905 0.180553 Mn\n0.772404 0.521202 0.181317 Mn\n0.372470 0.023481 0.855169 Mn\n0.745165 0.306226 0.855496 Mn\n0.077770 0.166403 0.273802 O\n0.425130 0.492703 0.244531 O\n0.739616 0.832471 0.270649 O\n0.388854 0.079002 0.626423 O\n0.725447 0.397842 0.626376 O\n0.051388 0.738587 0.622707 O\n0.374943 0.335775 0.935679 O\n0.688473 0.642963 0.939874 O\n0.065000 0.951175 0.950155 O\n","nsites":22,"nelements":4,"elements":["Na","Li","Mn","O"],"chemical_system":"Li-Mn-Na-O","density":3.2447805718864755,"density_atomic":0.08229808393968267,"volume":267.3209259175959,"volume_molar":7.317473836224067,"formula_full":"Na3 Li5 Mn5 O9","formula_reduced":"Na3Li5Mn5O9","formula_anonymous":"A3B5C5D9","energy":-144.77827516,"energy_per_atom":-6.5808306890909085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.25527516,"band_gap":0.2439,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.9952661,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.121000Z","spacegroup":1},{"id":"mp-655275","created_at":"2022-09-04T14:42:12.826417Z","structure_string":"Hg1 C2 S2 N2\n1.0\n2.057233 5.532574 0.000000\n-2.057233 5.532574 0.000000\n0.000000 0.488299 6.554181\nHg C S N\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.260518 0.260518 0.776099 C\n0.739482 0.739482 0.223901 C\n0.127239 0.127239 0.678912 S\n0.872761 0.872761 0.321088 S\n0.357950 0.357950 0.838781 N\n0.642050 0.642050 0.161219 N\n","nsites":7,"nelements":4,"elements":["Hg","C","S","N"],"chemical_system":"C-Hg-N-S","density":3.525438656246062,"density_atomic":0.046917936161337215,"volume":149.19667344124056,"volume_molar":12.83547669124149,"formula_full":"Hg1 C2 S2 N2","formula_reduced":"HgC2(SN)2","formula_anonymous":"AB2C2D2","energy":-43.25399714,"energy_per_atom":-6.179142448571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.52599714,"band_gap":2.2164,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004571,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.329000Z","spacegroup":12}]}