{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12125","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12123","results":[{"id":"mp-1227632","created_at":"2022-09-04T14:46:14.346466Z","structure_string":"Ba2 Zn2 Fe12 O22\n1.0\n2.946805 5.106443 0.000000\n-2.946805 5.106443 0.000000\n0.000000 3.313280 14.583248\nBa Zn Fe O\n2 2 12 22\ndirect\n0.297359 0.297359 0.104860 Ba\n0.699463 0.699463 0.895578 Ba\n0.848121 0.848121 0.456441 Zn\n0.155225 0.155225 0.542188 Zn\n0.931896 0.931896 0.201157 Fe\n0.064719 0.064719 0.800806 Fe\n0.999252 0.999252 0.000789 Fe\n0.506559 0.506559 0.499018 Fe\n0.387779 0.892252 0.331348 Fe\n0.892252 0.387779 0.331348 Fe\n0.386249 0.386249 0.330669 Fe\n0.612332 0.106111 0.668269 Fe\n0.106111 0.612332 0.668269 Fe\n0.612351 0.612351 0.668490 Fe\n0.623259 0.623259 0.132008 Fe\n0.377155 0.377155 0.869127 Fe\n0.204118 0.204118 0.401100 O\n0.799234 0.799234 0.595917 O\n0.684558 0.684558 0.405466 O\n0.691829 0.227054 0.412129 O\n0.227054 0.691829 0.412129 O\n0.321003 0.321003 0.591308 O\n0.329832 0.778908 0.587438 O\n0.778908 0.329832 0.587438 O\n0.087472 0.087472 0.259100 O\n0.078921 0.567308 0.254863 O\n0.567308 0.078921 0.254863 O\n0.909937 0.909937 0.741038 O\n0.902095 0.426801 0.746189 O\n0.426801 0.902095 0.746189 O\n0.573741 0.573741 0.262978 O\n0.422828 0.422828 0.739112 O\n0.813017 0.813017 0.087626 O\n0.813015 0.284079 0.089274 O\n0.284079 0.813015 0.089274 O\n0.186073 0.186073 0.911385 O\n0.182808 0.715286 0.912394 O\n0.715286 0.182808 0.912394 O\n","nsites":38,"nelements":4,"elements":["Ba","Zn","Fe","O"],"chemical_system":"Ba-Fe-O-Zn","density":5.4013351772375895,"density_atomic":0.08658236670829338,"volume":438.8884416618763,"volume_molar":6.955389404275967,"formula_full":"Ba2 Zn2 Fe12 O22","formula_reduced":"BaZnFe6O11","formula_anonymous":"ABC6D11","energy":-285.70428227,"energy_per_atom":-7.518533743947369,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.51828227,"band_gap":1.0812,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":60.0014635,"is_theoretical":true,"updated_at":"2021-11-28T01:37:24.538000Z","spacegroup":8},{"id":"mp-1236228","created_at":"2022-09-04T14:46:14.346973Z","structure_string":"Ba2 Li1 Eu1 Cu4 O8\n1.0\n0.000000 0.000000 4.011920\n3.899869 0.204919 0.000000\n-1.173810 15.062462 0.000000\nBa Li Eu Cu O\n2 1 1 4 8\ndirect\n0.500000 0.376731 0.728989 Ba\n0.500000 0.423488 0.211210 Ba\n0.000000 0.840349 0.349712 Li\n0.500000 0.415036 0.971924 Eu\n0.000000 0.925825 0.084066 Cu\n0.000000 0.901212 0.865508 Cu\n0.000000 0.342028 0.454919 Cu\n0.000000 0.856530 0.590338 Cu\n0.000000 0.331101 0.324850 O\n0.000000 0.872253 0.712034 O\n0.000000 0.402419 0.878302 O\n0.000000 0.426483 0.084297 O\n0.000000 0.354887 0.581102 O\n0.000000 0.842530 0.467092 O\n0.500000 0.926395 0.091363 O\n0.500000 0.904401 0.877443 O\n","nsites":16,"nelements":5,"elements":["Ba","Li","Eu","Cu","O"],"chemical_system":"Ba-Cu-Eu-Li-O","density":5.7243598460117635,"density_atomic":0.06761561641318328,"volume":236.6317257573713,"volume_molar":8.906434754953796,"formula_full":"Ba2 Li1 Eu1 Cu4 O8","formula_reduced":"Ba2LiEu(CuO2)4","formula_anonymous":"ABC2D4E8","energy":-101.76887181,"energy_per_atom":-6.360554488125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.27287181,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.8115587,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.456000Z","spacegroup":6},{"id":"mp-1113503","created_at":"2022-09-04T14:46:14.634897Z","structure_string":"Na3 Nd1 Cl6\n1.0\n0.000000 5.418764 5.418764\n5.418764 0.000000 5.418764\n5.418764 5.418764 0.000000\nNa Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.749830 0.250170 0.250170 Cl\n0.250170 0.250170 0.749830 Cl\n0.250170 0.749830 0.749830 Cl\n0.250170 0.749830 0.250170 Cl\n0.749830 0.250170 0.749830 Cl\n0.749830 0.749830 0.250170 Cl\n","nsites":10,"nelements":3,"elements":["Na","Nd","Cl"],"chemical_system":"Cl-Na-Nd","density":2.2225723937122193,"density_atomic":0.031424566383392666,"volume":318.2223702944975,"volume_molar":19.163799068943067,"formula_full":"Na3 Nd1 Cl6","formula_reduced":"Na3NdCl6","formula_anonymous":"AB3C6","energy":-41.76990667,"energy_per_atom":-4.176990667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.08590667,"band_gap":3.8903,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001561,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.249000Z","spacegroup":225},{"id":"mp-1200504","created_at":"2022-09-04T14:46:14.346717Z","structure_string":"Ga4 H12 C15 O31\n1.0\n-5.864478 5.864478 5.864478\n5.864478 -5.864478 5.864478\n5.864478 5.864478 -5.864478\nGa H C O\n4 12 15 31\ndirect\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.675937 0.783555 0.459492 H\n0.675937 0.216445 0.892381 H\n0.324063 0.783555 0.107619 H\n0.324063 0.216445 0.540508 H\n0.783555 0.459492 0.675937 H\n0.216445 0.892381 0.675937 H\n0.783555 0.107619 0.324063 H\n0.216445 0.540508 0.324063 H\n0.459492 0.675937 0.783555 H\n0.892381 0.675937 0.216445 H\n0.107619 0.324063 0.783555 H\n0.540508 0.324063 0.216445 H\n0.757491 0.736909 0.494401 C\n0.757491 0.263091 0.020582 C\n0.242509 0.736909 0.979418 C\n0.242509 0.263091 0.505599 C\n0.736909 0.494401 0.757491 C\n0.263091 0.020582 0.757491 C\n0.736909 0.979418 0.242509 C\n0.263091 0.505599 0.242509 C\n0.494401 0.757491 0.736909 C\n0.020582 0.757491 0.263091 C\n0.979418 0.242509 0.736909 C\n0.505599 0.242509 0.263091 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.898185 0.804328 0.514198 O\n0.709869 0.195672 0.093857 O\n0.101815 0.616012 0.906143 O\n0.290131 0.383988 0.485802 O\n0.804328 0.514198 0.898185 O\n0.195672 0.093857 0.709869 O\n0.616012 0.906143 0.101815 O\n0.383988 0.485802 0.290131 O\n0.514198 0.898185 0.804328 O\n0.093857 0.709869 0.195672 O\n0.906143 0.101815 0.616012 O\n0.485802 0.290131 0.383988 O\n0.101815 0.195672 0.485802 O\n0.290131 0.804328 0.906143 O\n0.898185 0.383988 0.093857 O\n0.709869 0.616012 0.514198 O\n0.195672 0.485802 0.101815 O\n0.804328 0.906143 0.290131 O\n0.383988 0.093857 0.898185 O\n0.616012 0.514198 0.709869 O\n0.485802 0.101815 0.195672 O\n0.906143 0.290131 0.804328 O\n0.093857 0.898185 0.383988 O\n0.514198 0.709869 0.616012 O\n0.500000 0.899668 0.399668 O\n0.500000 0.100332 0.600332 O\n0.899668 0.399668 0.500000 O\n0.100332 0.600332 0.500000 O\n0.399668 0.500000 0.899668 O\n0.600332 0.500000 0.100332 O\n0.000000 0.000000 0.000000 O\n","nsites":62,"nelements":4,"elements":["Ga","H","C","O"],"chemical_system":"C-Ga-H-O","density":1.9906069169613936,"density_atomic":0.07684995436355857,"volume":806.7669071954549,"volume_molar":7.8362320574853,"formula_full":"Ga4 H12 C15 O31","formula_reduced":"Ga4H12C15O31","formula_anonymous":"A4B12C15D31","energy":-430.02982722,"energy_per_atom":-6.935964955161291,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-408.73282722,"band_gap":0.7539000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.996417,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.443000Z","spacegroup":204},{"id":"mp-867751","created_at":"2022-09-04T14:46:14.350789Z","structure_string":"Ca2 Ag1 Sn1\n1.0\n0.000000 3.783200 3.783200\n3.783200 0.000000 3.783200\n3.783200 3.783200 0.000000\nCa Ag Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":3,"elements":["Ca","Ag","Sn"],"chemical_system":"Ag-Ca-Sn","density":4.703307786263262,"density_atomic":0.03693618975160843,"volume":108.29487358873598,"volume_molar":16.304174308444363,"formula_full":"Ca2 Ag1 Sn1","formula_reduced":"Ca2AgSn","formula_anonymous":"ABC2","energy":-12.99543646,"energy_per_atom":-3.248859115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.99543646,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007309,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.633000Z","spacegroup":225},{"id":"mp-1179368","created_at":"2022-09-04T14:46:14.401259Z","structure_string":"Sr1 Cl2 O6\n1.0\n4.160042 6.381124 0.000000\n-4.160042 6.381124 0.000000\n0.000000 0.884798 3.284169\nSr Cl O\n1 2 6\ndirect\n0.984768 0.015232 0.000000 Sr\n0.602942 0.745705 0.267418 Cl\n0.254295 0.397058 0.732582 Cl\n0.058284 0.590975 0.499829 O\n0.409025 0.941716 0.500171 O\n0.689654 0.310346 0.000000 O\n0.001460 0.759894 0.638812 O\n0.240106 0.998540 0.361188 O\n0.759366 0.240634 0.500000 O\n","nsites":9,"nelements":3,"elements":["Sr","Cl","O"],"chemical_system":"Cl-O-Sr","density":2.423955902927326,"density_atomic":0.051616923632871695,"volume":174.36141804988247,"volume_molar":11.66698891788441,"formula_full":"Sr1 Cl2 O6","formula_reduced":"Sr(ClO3)2","formula_anonymous":"AB2C6","energy":-37.90573708000001,"energy_per_atom":-4.211748564444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.93973708,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1298217,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.393000Z","spacegroup":5},{"id":"mp-1373532","created_at":"2022-09-04T14:46:14.408265Z","structure_string":"Ca4 Sn4 F20\n1.0\n10.791279 0.000000 0.000000\n0.000000 5.865833 0.000000\n0.000000 2.835644 7.724264\nCa Sn F\n4 4 20\ndirect\n0.016689 0.526230 0.747060 Ca\n0.516689 0.473770 0.752940 Ca\n0.983311 0.473770 0.252940 Ca\n0.483311 0.526230 0.247060 Ca\n0.753709 0.102918 0.600685 Sn\n0.253709 0.897082 0.899315 Sn\n0.246291 0.897082 0.399315 Sn\n0.746291 0.102918 0.100685 Sn\n0.890174 0.400656 0.555001 F\n0.390174 0.599344 0.944999 F\n0.109826 0.599344 0.444999 F\n0.609826 0.400656 0.055001 F\n0.604175 0.369511 0.499981 F\n0.104175 0.630489 0.000019 F\n0.395825 0.630489 0.500019 F\n0.895825 0.369511 0.999981 F\n0.404619 0.136540 0.806264 F\n0.904619 0.863460 0.693736 F\n0.595381 0.863460 0.193736 F\n0.095381 0.136540 0.306264 F\n0.130003 0.190866 0.855334 F\n0.630003 0.809134 0.644666 F\n0.869997 0.809134 0.144666 F\n0.369997 0.190866 0.355334 F\n0.697378 0.160877 0.835340 F\n0.197378 0.839123 0.664660 F\n0.302622 0.839123 0.164660 F\n0.802622 0.160877 0.335340 F\n","nsites":28,"nelements":3,"elements":["Ca","Sn","F"],"chemical_system":"Ca-F-Sn","density":3.447519926337841,"density_atomic":0.05726619228182339,"volume":488.9446789513078,"volume_molar":10.51604885892066,"formula_full":"Ca4 Sn4 F20","formula_reduced":"CaSnF5","formula_anonymous":"ABC5","energy":-153.49841383,"energy_per_atom":-5.482086208214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.25841383,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013504,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.725000Z","spacegroup":14},{"id":"mp-685055","created_at":"2022-09-04T14:46:14.458131Z","structure_string":"Cr1 Te2\n1.0\n1.923392 -3.331412 0.000000\n1.923392 3.331412 0.000000\n0.000000 0.000000 6.167712\nCr Te\n1 2\ndirect\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.248261 Te\n0.333333 0.666667 0.751739 Te\n","nsites":3,"nelements":2,"elements":["Cr","Te"],"chemical_system":"Cr-Te","density":6.4537860248218255,"density_atomic":0.037955177057744885,"volume":79.04060084967618,"volume_molar":15.866454135724187,"formula_full":"Cr1 Te2","formula_reduced":"CrTe2","formula_anonymous":"AB2","energy":-17.370044290000003,"energy_per_atom":-5.7900147633333345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.52604429,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4276704,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.316000Z","spacegroup":164},{"id":"mp-1225219","created_at":"2022-09-04T14:46:14.471229Z","structure_string":"Eu1 Al8 Si1 Au4\n1.0\n4.294821 0.000000 0.000000\n0.000000 4.294821 0.000000\n0.000000 0.000000 14.472911\nEu Al Si Au\n1 8 1 4\ndirect\n0.000000 0.000000 0.005788 Eu\n0.500000 0.000000 0.812830 Al\n0.000000 0.500000 0.812830 Al\n0.500000 0.000000 0.189743 Al\n0.000000 0.500000 0.189743 Al\n0.500000 0.000000 0.603221 Al\n0.000000 0.500000 0.603221 Al\n0.500000 0.000000 0.396172 Al\n0.000000 0.500000 0.396172 Al\n0.500000 0.500000 0.082791 Si\n0.500000 0.500000 0.499291 Au\n0.000000 0.000000 0.705757 Au\n0.000000 0.000000 0.290212 Au\n0.500000 0.500000 0.912230 Au\n","nsites":14,"nelements":4,"elements":["Eu","Al","Si","Au"],"chemical_system":"Al-Au-Eu-Si","density":7.363252558620808,"density_atomic":0.052442333529514246,"volume":266.9598978108188,"volume_molar":11.483357727799763,"formula_full":"Eu1 Al8 Si1 Au4","formula_reduced":"EuAl8SiAu4","formula_anonymous":"ABC4D8","energy":-65.51937013,"energy_per_atom":-4.679955009285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.51937013,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.888656,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.747000Z","spacegroup":99},{"id":"mp-698214","created_at":"2022-09-04T14:46:14.480241Z","structure_string":"K1 Mn1 H24 C14 N8\n1.0\n-4.481496 4.481496 6.209261\n4.481496 -4.481496 6.209261\n4.481496 4.481496 -6.209261\nK Mn H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.023656 0.346088 0.773956 H\n0.572132 0.249700 0.226044 H\n0.249700 0.023656 0.677568 H\n0.346088 0.572132 0.322432 H\n0.976344 0.653912 0.226044 H\n0.427868 0.750300 0.773956 H\n0.750300 0.976344 0.322432 H\n0.653912 0.427868 0.677568 H\n0.998562 0.455579 0.644736 H\n0.810843 0.353825 0.355264 H\n0.353825 0.998562 0.542982 H\n0.455579 0.810843 0.457018 H\n0.001438 0.544421 0.355264 H\n0.189157 0.646175 0.644736 H\n0.646175 0.001438 0.457018 H\n0.544421 0.189157 0.542982 H\n0.910703 0.512193 0.799954 H\n0.712240 0.110749 0.200046 H\n0.110749 0.910703 0.398510 H\n0.512193 0.712240 0.601490 H\n0.089297 0.487807 0.200046 H\n0.287760 0.889251 0.799954 H\n0.889251 0.089297 0.601490 H\n0.487807 0.287760 0.398510 H\n0.840360 0.840360 0.000000 C\n0.159640 0.159640 0.000000 C\n0.177996 0.866048 0.044045 C\n0.822004 0.133952 0.955955 C\n0.133952 0.177996 0.311948 C\n0.866048 0.822004 0.688052 C\n0.933700 0.401507 0.693550 C\n0.707957 0.240150 0.306450 C\n0.240150 0.933700 0.532193 C\n0.401507 0.707957 0.467807 C\n0.066300 0.598493 0.306450 C\n0.292043 0.759850 0.693550 C\n0.759850 0.066300 0.467807 C\n0.598493 0.292043 0.532193 C\n0.745237 0.745237 0.000000 N\n0.254763 0.254763 0.000000 N\n0.281041 0.784579 0.065620 N\n0.718959 0.215421 0.934380 N\n0.215421 0.281041 0.496462 N\n0.784579 0.718959 0.503538 N\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n","nsites":48,"nelements":5,"elements":["K","Mn","H","C","N"],"chemical_system":"C-H-K-Mn-N","density":1.3263420188408228,"density_atomic":0.09622663620777284,"volume":498.8223831950049,"volume_molar":6.258288762164538,"formula_full":"K1 Mn1 H24 C14 N8","formula_reduced":"KMnH24(C7N4)2","formula_anonymous":"ABC8D14E24","energy":-290.94183212,"energy_per_atom":-6.061288169166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-288.05383212,"band_gap":0.2816,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.000088,"is_theoretical":false,"updated_at":"2021-11-28T01:37:27.794000Z","spacegroup":87},{"id":"mp-1223103","created_at":"2022-09-04T14:46:14.512147Z","structure_string":"La5 S8\n1.0\n0.000000 6.065682 6.065682\n6.065682 0.000000 6.065682\n6.065682 6.065682 0.000000\nLa S\n5 8\ndirect\n0.366616 0.877795 0.877795 La\n0.877795 0.366616 0.877795 La\n0.877795 0.877795 0.366616 La\n0.877795 0.877795 0.877795 La\n0.500000 0.500000 0.500000 La\n0.100404 0.633199 0.633199 S\n0.633199 0.100404 0.633199 S\n0.633199 0.633199 0.100404 S\n0.633199 0.633199 0.633199 S\n0.669764 0.110079 0.110079 S\n0.110079 0.669764 0.110079 S\n0.110079 0.110079 0.669764 S\n0.110079 0.110079 0.110079 S\n","nsites":13,"nelements":2,"elements":["La","S"],"chemical_system":"La-S","density":3.538199582879737,"density_atomic":0.029125570574556607,"volume":446.34318722519674,"volume_molar":20.676473082593606,"formula_full":"La5 S8","formula_reduced":"La5S8","formula_anonymous":"A5B8","energy":-86.15026653,"energy_per_atom":-6.626943579230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.12626653,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9985543,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.651000Z","spacegroup":216},{"id":"mp-1188091","created_at":"2022-09-04T14:46:14.606523Z","structure_string":"Ce4 Ge10 Ir6\n1.0\n-3.047727 5.134575 5.955998\n3.047727 -5.134575 5.955998\n3.047727 5.134575 -5.955998\nCe Ge Ir\n4 10 6\ndirect\n0.862094 0.635010 0.227084 Ce\n0.137906 0.364990 0.772916 Ce\n0.407925 0.135010 0.272916 Ce\n0.592075 0.864990 0.727084 Ce\n0.500000 0.750000 0.250000 Ge\n0.500000 0.250000 0.750000 Ge\n0.222385 0.972385 0.750000 Ge\n0.777615 0.527615 0.750000 Ge\n0.777615 0.027615 0.250000 Ge\n0.222385 0.472385 0.250000 Ge\n0.062288 0.901345 0.160943 Ge\n0.937712 0.098655 0.839057 Ge\n0.740402 0.401345 0.339057 Ge\n0.259598 0.598655 0.660943 Ge\n0.000000 0.750000 0.750000 Ir\n0.000000 0.250000 0.250000 Ir\n0.248636 0.858253 0.390383 Ir\n0.751364 0.141747 0.609617 Ir\n0.467869 0.358253 0.109617 Ir\n0.532131 0.641747 0.890383 Ir\n","nsites":20,"nelements":3,"elements":["Ce","Ge","Ir"],"chemical_system":"Ce-Ge-Ir","density":10.868594105836868,"density_atomic":0.05364569753965496,"volume":372.8164776907967,"volume_molar":11.225766531506887,"formula_full":"Ce4 Ge10 Ir6","formula_reduced":"Ce2Ge5Ir3","formula_anonymous":"A2B3C5","energy":-137.92429844,"energy_per_atom":-6.896214922,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.92429844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3739939,"is_theoretical":false,"updated_at":"2021-11-28T01:37:22.363000Z","spacegroup":72}]}