{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10232","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10230","results":[{"id":"mp-1221210","created_at":"2022-09-04T14:40:11.416179Z","structure_string":"Na4 Al3 Si3 Cl1 O12\n1.0\n4.494467 6.360584 0.000000\n-4.494467 6.360584 0.000000\n0.000000 6.321097 6.355155\nNa Al Si Cl O\n4 3 3 1 12\ndirect\n0.645177 0.003036 0.358340 Na\n0.361367 0.002244 0.991331 Na\n0.997756 0.638633 0.008669 Na\n0.996964 0.354823 0.641660 Na\n0.748096 0.251904 0.500000 Al\n0.250727 0.252178 0.252963 Al\n0.747822 0.749273 0.747037 Al\n0.496244 0.494413 0.753329 Si\n0.253592 0.746408 0.500000 Si\n0.505587 0.503756 0.246671 Si\n0.999202 0.000798 0.000000 Cl\n0.699475 0.000994 0.583841 O\n0.423860 0.303917 0.290714 O\n0.414993 0.695512 0.586315 O\n0.298841 0.986715 0.304591 O\n0.578411 0.702147 0.008826 O\n0.567256 0.296085 0.715382 O\n0.013285 0.701159 0.695409 O\n0.297853 0.421589 0.991174 O\n0.703915 0.432744 0.284618 O\n0.999006 0.300525 0.416159 O\n0.696083 0.576140 0.709286 O\n0.304488 0.585007 0.413685 O\n","nsites":23,"nelements":5,"elements":["Na","Al","Si","Cl","O"],"chemical_system":"Al-Cl-Na-O-Si","density":2.214657373159833,"density_atomic":0.06329894979084047,"volume":363.3551595405484,"volume_molar":9.513808333154085,"formula_full":"Na4 Al3 Si3 Cl1 O12","formula_reduced":"Na4Al3Si3ClO12","formula_anonymous":"AB3C3D4E12","energy":-164.41479217,"energy_per_atom":-7.148469224782609,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.55679217,"band_gap":4.338900000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007302,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.307000Z","spacegroup":5},{"id":"mp-1028042","created_at":"2022-09-04T14:40:11.428503Z","structure_string":"Na1 Y1 Mg14\n1.0\n6.564149 0.016718 0.000000\n-3.267596 5.659641 0.000000\n0.000000 0.000000 10.417714\nNa Y Mg\n1 1 14\ndirect\n0.169952 0.834976 0.125000 Na\n0.166697 0.333348 0.125000 Y\n0.166241 0.333120 0.625000 Mg\n0.166850 0.833425 0.625000 Mg\n0.660874 0.324540 0.125000 Mg\n0.667026 0.333688 0.625000 Mg\n0.660874 0.836333 0.125000 Mg\n0.667026 0.833337 0.625000 Mg\n0.336716 0.169710 0.381921 Mg\n0.336716 0.169710 0.868079 Mg\n0.336716 0.667007 0.381921 Mg\n0.336716 0.667007 0.868079 Mg\n0.832867 0.166434 0.378018 Mg\n0.832867 0.166434 0.871982 Mg\n0.830931 0.665466 0.375623 Mg\n0.830931 0.665466 0.874377 Mg\n","nsites":16,"nelements":3,"elements":["Na","Y","Mg"],"chemical_system":"Mg-Na-Y","density":1.9371745628882726,"density_atomic":0.041280229724718134,"volume":387.59474224581123,"volume_molar":14.588438097751212,"formula_full":"Na1 Y1 Mg14","formula_reduced":"NaYMg14","formula_anonymous":"ABC14","energy":-29.60270387,"energy_per_atom":-1.850168991875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.60270387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.869000Z","spacegroup":38},{"id":"mp-1207906","created_at":"2022-09-04T14:40:11.431995Z","structure_string":"V2 Fe2 Pb1 O8 F2\n1.0\n3.111177 4.686606 0.000000\n-3.111177 4.686606 0.000000\n0.000000 3.335905 7.172917\nV Fe Pb O F\n2 2 1 8 2\ndirect\n0.573468 0.573468 0.233122 V\n0.426532 0.426532 0.766878 V\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Pb\n0.677305 0.677305 0.384477 O\n0.322695 0.322695 0.615523 O\n0.286348 0.286348 0.984082 O\n0.713652 0.713652 0.015918 O\n0.682578 0.224478 0.267267 O\n0.317422 0.775522 0.732733 O\n0.775522 0.317422 0.732733 O\n0.224478 0.682578 0.267267 O\n0.831512 0.831512 0.589340 F\n0.168488 0.168488 0.410660 F\n","nsites":15,"nelements":5,"elements":["V","Fe","Pb","O","F"],"chemical_system":"F-Fe-O-Pb-V","density":4.65805205906253,"density_atomic":0.07171042462692533,"volume":209.17460854593665,"volume_molar":8.397859573876863,"formula_full":"V2 Fe2 Pb1 O8 F2","formula_reduced":"V2Fe2Pb(O4F)2","formula_anonymous":"AB2C2D2E8","energy":-114.80638961,"energy_per_atom":-7.653759307333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.47438961,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0013194,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.613000Z","spacegroup":12},{"id":"mp-25426","created_at":"2022-09-04T14:40:11.488116Z","structure_string":"Mn2 P2 O8 F2\n1.0\n4.919578 -0.032078 -1.526459\n-1.131242 4.761792 -1.721172\n0.032133 0.019918 7.228047\nMn P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.435515 0.112298 0.761634 P\n0.564485 0.887702 0.238366 P\n0.243815 0.801662 0.121030 O\n0.714218 0.845169 0.077574 O\n0.663736 0.193047 0.402722 O\n0.644656 0.678756 0.344259 O\n0.285782 0.154831 0.922426 O\n0.336264 0.806953 0.597278 O\n0.355344 0.321244 0.655741 O\n0.756185 0.198338 0.878970 O\n0.149120 0.319500 0.265009 F\n0.850880 0.680500 0.734991 F\n","nsites":14,"nelements":4,"elements":["Mn","P","O","F"],"chemical_system":"F-Mn-O-P","density":3.309467772648144,"density_atomic":0.08259568652036639,"volume":169.5003769542843,"volume_molar":7.2911080635125725,"formula_full":"Mn2 P2 O8 F2","formula_reduced":"MnPO4F","formula_anonymous":"ABCD4","energy":-105.13582316,"energy_per_atom":-7.509701654285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.37982316,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9995926,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.770000Z","spacegroup":2},{"id":"mp-1034881","created_at":"2022-09-04T14:40:11.639115Z","structure_string":"Cs1 Na1 Mg14 O15\n1.0\n4.199580 0.000000 0.000000\n0.000000 8.372080 0.000000\n0.000000 0.000000 10.693637\nCs Na Mg O\n1 1 14 15\ndirect\n0.000000 0.500000 0.438550 Cs\n0.000000 0.000000 0.022928 Na\n0.000000 0.500000 0.979220 Mg\n0.000000 0.000000 0.482667 Mg\n0.500000 0.759575 0.985044 Mg\n0.500000 0.240425 0.985044 Mg\n0.500000 0.758227 0.576976 Mg\n0.500000 0.241773 0.576976 Mg\n0.500000 0.000000 0.791858 Mg\n0.500000 0.500000 0.772538 Mg\n0.500000 0.000000 0.272283 Mg\n0.500000 0.500000 0.168857 Mg\n0.000000 0.729524 0.770419 Mg\n0.000000 0.270476 0.770419 Mg\n0.000000 0.751263 0.181720 Mg\n0.000000 0.248737 0.181720 Mg\n0.000000 0.500000 0.789436 O\n0.000000 0.000000 0.257689 O\n0.000000 0.500000 0.175971 O\n0.500000 0.767933 0.771638 O\n0.500000 0.232067 0.771638 O\n0.500000 0.751221 0.193240 O\n0.500000 0.248779 0.193240 O\n0.500000 0.000000 0.968282 O\n0.500000 0.500000 0.976900 O\n0.500000 0.000000 0.469380 O\n0.500000 0.500000 0.585948 O\n0.000000 0.745052 0.980081 O\n0.000000 0.254948 0.980081 O\n0.000000 0.802626 0.589628 O\n0.000000 0.197374 0.589628 O\n","nsites":31,"nelements":4,"elements":["Cs","Na","Mg","O"],"chemical_system":"Cs-Mg-Na-O","density":3.2512803403490467,"density_atomic":0.08245120891469396,"volume":375.979932957361,"volume_molar":7.303884126466421,"formula_full":"Cs1 Na1 Mg14 O15","formula_reduced":"CsNaMg14O15","formula_anonymous":"ABC14D15","energy":-181.23692536,"energy_per_atom":-5.846352430967742,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.93192536,"band_gap":3.8194,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027371,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.184000Z","spacegroup":25},{"id":"mp-1185708","created_at":"2022-09-04T14:40:11.313711Z","structure_string":"Mg16 Al12 Sb1\n1.0\n5.283042 -7.424744 0.000000\n5.283042 7.424744 0.000000\n-5.151631 0.000000 7.516519\nMg Al Sb\n16 12 1\ndirect\n0.998401 0.998401 0.998401 Mg\n0.001675 0.654183 0.001675 Mg\n0.600336 0.290996 0.600336 Mg\n0.316300 0.713562 0.316300 Mg\n0.402450 0.998664 0.681460 Mg\n0.290996 0.600336 0.600336 Mg\n0.681460 0.402450 0.998664 Mg\n0.654183 0.001675 0.001675 Mg\n0.316300 0.316300 0.713562 Mg\n0.998664 0.681460 0.402450 Mg\n0.402450 0.681460 0.998664 Mg\n0.713562 0.316300 0.316300 Mg\n0.001675 0.001675 0.654183 Mg\n0.998664 0.402450 0.681460 Mg\n0.600336 0.600336 0.290996 Mg\n0.681460 0.998664 0.402450 Mg\n0.638977 0.826556 0.638977 Al\n0.816695 0.185750 0.816695 Al\n0.181899 0.992867 0.368062 Al\n0.638977 0.638977 0.826556 Al\n0.992867 0.368062 0.181899 Al\n0.816695 0.816695 0.185750 Al\n0.992867 0.181899 0.368062 Al\n0.368062 0.181899 0.992867 Al\n0.185750 0.816695 0.816695 Al\n0.181899 0.368062 0.992867 Al\n0.826556 0.638977 0.638977 Al\n0.368062 0.992867 0.181899 Al\n0.331785 0.331785 0.331785 Sb\n","nsites":29,"nelements":3,"elements":["Mg","Al","Sb"],"chemical_system":"Al-Mg-Sb","density":2.349744815128423,"density_atomic":0.04917967962319363,"volume":589.674439162538,"volume_molar":12.245180949002966,"formula_full":"Mg16 Al12 Sb1","formula_reduced":"Mg16Al12Sb","formula_anonymous":"AB12C16","energy":-75.27741859999999,"energy_per_atom":-2.5957730551724136,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.0854186,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008384,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.364000Z","spacegroup":160},{"id":"mp-1188271","created_at":"2022-09-04T14:40:11.321352Z","structure_string":"Er6 Ir1 I10\n1.0\n7.682983 0.000000 0.000000\n-2.450411 9.311748 0.000000\n-1.167703 -3.328008 8.995413\nEr Ir I\n6 1 10\ndirect\n0.525895 0.716484 0.414730 Er\n0.474105 0.283516 0.585270 Er\n0.150830 0.872692 0.333721 Er\n0.849170 0.127308 0.666279 Er\n0.611817 0.039188 0.259225 Er\n0.388183 0.960812 0.740775 Er\n0.500000 0.000000 0.500000 Ir\n0.715471 0.738319 0.150447 I\n0.284529 0.261681 0.849553 I\n0.047295 0.183847 0.407642 I\n0.952705 0.816153 0.592358 I\n0.586520 0.373106 0.320479 I\n0.413480 0.626894 0.679521 I\n0.143124 0.544228 0.225845 I\n0.856876 0.455772 0.774155 I\n0.761630 0.088998 0.964879 I\n0.238370 0.911002 0.035121 I\n","nsites":17,"nelements":3,"elements":["Er","Ir","I"],"chemical_system":"Er-I-Ir","density":6.359915637988823,"density_atomic":0.026415980006854235,"volume":643.5498510972888,"volume_molar":22.79733993755832,"formula_full":"Er6 Ir1 I10","formula_reduced":"Er6IrI10","formula_anonymous":"AB6C10","energy":-76.58673165,"energy_per_atom":-4.5051018617647065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.79673165,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0006098,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.767000Z","spacegroup":2},{"id":"mp-1520657","created_at":"2022-09-04T14:40:11.329146Z","structure_string":"Ba1 Sr1 Hf1 Sn1 O6\n1.0\n-0.000000 -4.159723 -4.159723\n4.159723 -0.000000 -4.159723\n4.159723 -4.159723 0.000000\nBa Sr Hf Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.750000 0.250000 0.250000 O\n0.250000 0.750000 0.750000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.750000 0.750000 0.250000 O\n0.250000 0.250000 0.750000 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Hf","Sn","O"],"chemical_system":"Ba-Hf-O-Sn-Sr","density":7.130419872424969,"density_atomic":0.0694667162417065,"volume":143.9538320079133,"volume_molar":8.669102392930473,"formula_full":"Ba1 Sr1 Hf1 Sn1 O6","formula_reduced":"BaSrHfSnO6","formula_anonymous":"ABCDE6","energy":-79.28985887,"energy_per_atom":-7.9289858870000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.16785887,"band_gap":3.7375,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.015000Z","spacegroup":216},{"id":"mp-754580","created_at":"2022-09-04T14:40:11.332059Z","structure_string":"Li5 Mn1 O5\n1.0\n2.062702 4.625532 0.000000\n-2.062702 4.625532 0.000000\n0.000000 1.734506 5.386204\nLi Mn O\n5 1 5\ndirect\n0.679097 0.695037 0.139848 Li\n0.689613 0.712893 0.663850 Li\n0.287107 0.310387 0.336150 Li\n0.304963 0.320903 0.860152 Li\n0.007338 0.992662 0.500000 Li\n0.933610 0.066390 0.000000 Mn\n0.152291 0.126278 0.161159 O\n0.516482 0.483518 0.000000 O\n0.140514 0.172038 0.686172 O\n0.827962 0.859486 0.313828 O\n0.873722 0.847709 0.838841 O\n","nsites":11,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":2.7407315752639465,"density_atomic":0.10702413142517028,"volume":102.78055849199804,"volume_molar":5.626899914820232,"formula_full":"Li5 Mn1 O5","formula_reduced":"Li5MnO5","formula_anonymous":"AB5C5","energy":-64.97152815999999,"energy_per_atom":-5.906502559999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.86852816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000021,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.032000Z","spacegroup":5},{"id":"mp-1188043","created_at":"2022-09-04T14:40:11.339912Z","structure_string":"Zr6 Pt2\n1.0\n3.040509 -5.266316 0.000000\n3.040509 5.266316 0.000000\n0.000000 0.000000 5.130628\nZr Pt\n6 2\ndirect\n0.173050 0.346099 0.250000 Zr\n0.653901 0.826950 0.250000 Zr\n0.173050 0.826950 0.250000 Zr\n0.826950 0.653901 0.750000 Zr\n0.346099 0.173050 0.750000 Zr\n0.826950 0.173050 0.750000 Zr\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n","nsites":8,"nelements":2,"elements":["Zr","Pt"],"chemical_system":"Pt-Zr","density":9.474846918162308,"density_atomic":0.04868960554347588,"volume":164.30611648428015,"volume_molar":12.368432014966142,"formula_full":"Zr6 Pt2","formula_reduced":"Zr3Pt","formula_anonymous":"AB3","energy":-66.68096165,"energy_per_atom":-8.33512020625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.68096165,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016027,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.329000Z","spacegroup":194},{"id":"mp-505765","created_at":"2022-09-04T14:40:11.344050Z","structure_string":"Ba20 Co20 N20\n1.0\n5.474483 0.000000 0.000000\n0.000000 9.708852 0.000000\n0.000000 0.000000 23.620387\nBa Co N\n20 20 20\ndirect\n0.005426 0.998148 0.250000 Ba\n0.506541 0.158906 0.451428 Ba\n0.959848 0.671938 0.848985 Ba\n0.540152 0.171938 0.848985 Ba\n0.493459 0.841094 0.548572 Ba\n0.993459 0.658906 0.048572 Ba\n0.040152 0.328062 0.348985 Ba\n0.459848 0.828062 0.151015 Ba\n0.959848 0.671938 0.651015 Ba\n0.006541 0.341094 0.951428 Ba\n0.459848 0.828062 0.348985 Ba\n0.006541 0.341094 0.548572 Ba\n0.040152 0.328062 0.151015 Ba\n0.993459 0.658906 0.451428 Ba\n0.493459 0.841094 0.951428 Ba\n0.494574 0.498148 0.250000 Ba\n0.540152 0.171938 0.651015 Ba\n0.505426 0.501852 0.750000 Ba\n0.994574 0.001852 0.750000 Ba\n0.506541 0.158906 0.048572 Ba\n0.456962 0.849515 0.802071 Co\n0.543038 0.150485 0.302071 Co\n0.043038 0.349515 0.802071 Co\n0.042088 0.993182 0.897498 Co\n0.957912 0.006818 0.397498 Co\n0.457912 0.493182 0.897498 Co\n0.956962 0.650485 0.197929 Co\n0.457912 0.493182 0.602502 Co\n0.542088 0.506818 0.397498 Co\n0.042088 0.993182 0.602502 Co\n0.043038 0.349515 0.697929 Co\n0.000000 0.000000 0.500000 Co\n0.543038 0.150485 0.197929 Co\n0.956962 0.650485 0.302071 Co\n0.456962 0.849515 0.697929 Co\n0.000000 0.000000 0.000000 Co\n0.542088 0.506818 0.102502 Co\n0.957912 0.006818 0.102502 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.251903 0.921254 0.850532 N\n0.751903 0.578746 0.350532 N\n0.682242 0.570329 0.557245 N\n0.248097 0.421254 0.850532 N\n0.337356 0.223281 0.250000 N\n0.817758 0.070329 0.557245 N\n0.162644 0.723281 0.250000 N\n0.662644 0.776719 0.750000 N\n0.682242 0.570329 0.942755 N\n0.748097 0.078746 0.149468 N\n0.751903 0.578746 0.149468 N\n0.317758 0.429671 0.442755 N\n0.182242 0.929671 0.442755 N\n0.817758 0.070329 0.942755 N\n0.748097 0.078746 0.350532 N\n0.837356 0.276719 0.750000 N\n0.248097 0.421254 0.649468 N\n0.182242 0.929671 0.057245 N\n0.251903 0.921254 0.649468 N\n0.317758 0.429671 0.057245 N\n","nsites":60,"nelements":3,"elements":["Ba","Co","N"],"chemical_system":"Ba-Co-N","density":5.562269067670707,"density_atomic":0.04779178474397892,"volume":1255.4458955952496,"volume_molar":12.600786499731427,"formula_full":"Ba20 Co20 N20","formula_reduced":"BaCoN","formula_anonymous":"ABC","energy":-379.07009746,"energy_per_atom":-6.317834957666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-371.85009746,"band_gap":0.0261999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0075439,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.473000Z","spacegroup":62},{"id":"mp-560849","created_at":"2022-09-04T14:40:11.349995Z","structure_string":"Fe2 H28 C8 N2 O2 F8\n1.0\n-7.031183 0.000000 0.000000\n2.508674 7.948344 0.000000\n-1.120178 -3.659153 -8.378577\nFe H C N O F\n2 28 8 2 2 8\ndirect\n0.823498 0.005668 0.124887 Fe\n0.176502 0.994332 0.875113 Fe\n0.269430 0.499499 0.349454 H\n0.407914 0.676819 0.119573 H\n0.465956 0.707112 0.377136 H\n0.203641 0.472736 0.083201 H\n0.888401 0.663758 0.255503 H\n0.732489 0.292556 0.478882 H\n0.212052 0.958774 0.492279 H\n0.545576 0.838011 0.879898 H\n0.936011 0.676808 0.448101 H\n0.063989 0.323192 0.551899 H\n0.111599 0.336242 0.744497 H\n0.454424 0.161989 0.120102 H\n0.730570 0.500501 0.650546 H\n0.935928 0.470986 0.272780 H\n0.796359 0.527264 0.916799 H\n0.766134 0.811984 0.827091 H\n0.832256 0.330964 0.936118 H\n0.142779 0.938665 0.302020 H\n0.787948 0.041226 0.507721 H\n0.534044 0.292888 0.622864 H\n0.064072 0.529014 0.727220 H\n0.857221 0.061335 0.697980 H\n0.592086 0.323181 0.880427 H\n0.267511 0.707444 0.521118 H\n0.604270 0.043379 0.662573 H\n0.233866 0.188016 0.172909 H\n0.167744 0.669036 0.063882 H\n0.395730 0.956621 0.337427 H\n0.692785 0.350648 0.605216 C\n0.246258 0.622835 0.128184 C\n0.238560 0.904127 0.363274 C\n0.029454 0.379090 0.679616 C\n0.761440 0.095873 0.636726 C\n0.753742 0.377165 0.871816 C\n0.307215 0.649352 0.394784 C\n0.970546 0.620910 0.320384 C\n0.190070 0.698645 0.301431 N\n0.809930 0.301355 0.698569 N\n0.335399 0.181438 0.086209 O\n0.664601 0.818562 0.913791 O\n0.025034 0.862244 0.018852 F\n0.292642 0.139444 0.759088 F\n0.972927 0.818787 0.716299 F\n0.707358 0.860556 0.240912 F\n0.358867 0.847290 0.809522 F\n0.027073 0.181213 0.283701 F\n0.974966 0.137756 0.981148 F\n0.641133 0.152710 0.190478 F\n","nsites":50,"nelements":6,"elements":["Fe","H","C","N","O","F"],"chemical_system":"C-F-Fe-H-N-O","density":1.5887267819962962,"density_atomic":0.10678117189350893,"volume":468.24734279807456,"volume_molar":5.639702817651955,"formula_full":"Fe2 H28 C8 N2 O2 F8","formula_reduced":"FeH14C4NOF4","formula_anonymous":"ABCD4E4F14","energy":-270.3371627,"energy_per_atom":-5.406743254,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.0331627,"band_gap":3.8012,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9978226,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.073000Z","spacegroup":2}]}