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N\n0.750000 0.638375 0.541111 N\n0.250000 0.927828 0.105227 N\n0.250000 0.927662 0.394441 N\n0.750000 0.072338 0.894441 N\n0.750000 0.072172 0.605227 N\n0.250000 0.589831 0.749931 O\n0.750000 0.410169 0.249931 O\n0.750000 0.334919 0.856619 O\n0.750000 0.334503 0.643630 O\n0.250000 0.665497 0.143630 O\n0.250000 0.665081 0.356619 O\n0.573560 0.842923 0.250489 O\n0.926440 0.842923 0.250489 O\n0.426440 0.157077 0.750489 O\n0.073560 0.157077 0.750489 O\n0.750000 0.951619 0.078608 O\n0.250000 0.048381 0.578608 O\n0.750000 0.609747 0.749906 O\n0.250000 0.390253 0.249906 O\n0.750000 0.946603 0.412247 F\n0.250000 0.053397 0.912247 F\n0.750000 0.093044 0.251013 F\n0.250000 0.906956 0.751013 F\n","nsites":116,"nelements":6,"elements":["Li","Ce","Si","N","O","F"],"chemical_system":"Ce-F-Li-N-O-Si","density":3.7739963337603846,"density_atomic":0.08656321805165328,"volume":1340.0610861160621,"volume_molar":6.956928006542593,"formula_full":"Li28 Ce10 Si22 N38 O14 F4","formula_reduced":"Li14Ce5Si11N19O7F2","formula_anonymous":"A2B5C7D11E14F19","energy":-838.16513183,"energy_per_atom":-7.225561481293103,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-812.98113183,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0307271,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.800000Z","spacegroup":31},{"id":"mp-505143","created_at":"2022-09-04T14:47:34.843216Z","structure_string":"Pu2 Si4 Ir4\n1.0\n4.107011 0.000000 0.000000\n0.000000 4.107011 0.000000\n0.000000 0.000000 9.887441\nPu Si Ir\n2 4 4\ndirect\n0.500000 0.000000 0.746154 Pu\n0.000000 0.500000 0.253846 Pu\n0.500000 0.000000 0.132024 Si\n0.000000 0.500000 0.867976 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.371423 Ir\n0.000000 0.500000 0.628577 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n","nsites":10,"nelements":3,"elements":["Pu","Si","Ir"],"chemical_system":"Ir-Pu-Si","density":13.63275163535005,"density_atomic":0.059960378117724554,"volume":166.7768001790495,"volume_molar":10.043533661806293,"formula_full":"Pu2 Si4 Ir4","formula_reduced":"Pu(SiIr)2","formula_anonymous":"AB2C2","energy":-94.30589535,"energy_per_atom":-9.430589535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.30589535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0309408,"is_theoretical":false,"updated_at":"2021-11-28T01:38:11.267000Z","spacegroup":129},{"id":"mp-1198111","created_at":"2022-09-04T14:39:35.486254Z","structure_string":"Al4 Si4 C2 N2 O20\n1.0\n-5.238658 0.000000 0.000000\n-2.619329 -4.536853 0.000000\n-2.596669 0.000000 20.954874\nAl Si C N O\n4 4 2 2 20\ndirect\n0.894007 0.257250 0.663192 Al\n0.151257 0.742750 0.163192 Al\n0.253330 0.616567 0.663250 Al\n0.869898 0.383433 0.163250 Al\n0.650632 0.581845 0.531303 Si\n0.232477 0.418155 0.031303 Si\n0.991814 0.924630 0.531332 Si\n0.916443 0.075370 0.031332 Si\n0.620294 0.800157 0.852197 C\n0.420451 0.199843 0.352197 C\n0.818500 0.593283 0.879628 N\n0.411783 0.406717 0.379628 N\n0.862779 0.253712 0.501465 O\n0.116492 0.746288 0.001465 O\n0.335262 0.728754 0.502081 O\n0.064016 0.271246 0.002081 O\n0.803618 0.781082 0.510727 O\n0.584699 0.218918 0.010727 O\n0.602554 0.551689 0.609711 O\n0.154243 0.448311 0.109711 O\n0.983857 0.935109 0.609630 O\n0.918966 0.064891 0.109630 O\n0.206711 0.321342 0.628424 O\n0.528053 0.678658 0.128424 O\n0.541673 0.328763 0.713111 O\n0.870436 0.671237 0.213111 O\n0.931134 0.557931 0.707575 O\n0.489066 0.442069 0.207575 O\n0.149462 0.944042 0.713575 O\n0.093504 0.055958 0.213575 O\n0.430684 0.999219 0.825799 O\n0.429903 0.000781 0.325799 O\n","nsites":32,"nelements":5,"elements":["Al","Si","C","N","O"],"chemical_system":"Al-C-N-O-Si","density":1.9748057769158402,"density_atomic":0.06425252063978865,"volume":498.0349359272275,"volume_molar":9.372614023597952,"formula_full":"Al4 Si4 C2 N2 O20","formula_reduced":"Al2Si2CNO10","formula_anonymous":"ABC2D2E10","energy":-235.46872532,"energy_per_atom":-7.35839766625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-221.72872532,"band_gap":0.0658999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.034308,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.654000Z","spacegroup":9},{"id":"mp-1219743","created_at":"2022-09-04T14:44:03.299964Z","structure_string":"Pu2 Sb1 Te2\n1.0\n4.271203 0.000000 0.000000\n0.000000 4.271203 0.000000\n0.000000 0.000000 8.778921\nPu Sb Te\n2 1 2\ndirect\n0.500000 0.000000 0.721683 Pu\n0.000000 0.500000 0.278317 Pu\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.358219 Te\n0.000000 0.500000 0.641781 Te\n","nsites":5,"nelements":3,"elements":["Pu","Sb","Te"],"chemical_system":"Pu-Sb-Te","density":8.968164273426256,"density_atomic":0.03121967931004896,"volume":160.15539270419748,"volume_molar":19.289566366755086,"formula_full":"Pu2 Sb1 Te2","formula_reduced":"Pu2SbTe2","formula_anonymous":"AB2C2","energy":-43.50283505,"energy_per_atom":-8.70056701,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.46683505,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0355913,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.432000Z","spacegroup":115}]}