{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=10140","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=10138","results":[{"id":"mp-1218634","created_at":"2022-09-04T14:40:53.246616Z","structure_string":"Sr4 La1 Cr1 Fe4 O15\n1.0\n2.764873 8.273419 0.000000\n-2.764873 8.273419 0.000000\n0.000000 1.821567 6.529707\nSr La Cr Fe O\n4 1 1 4 15\ndirect\n0.599639 0.599639 0.101162 Sr\n0.999960 0.999960 0.500662 Sr\n0.400152 0.400152 0.899100 Sr\n0.199871 0.199871 0.699078 Sr\n0.799041 0.799041 0.299412 La\n0.198927 0.198927 0.199204 Cr\n0.599457 0.599457 0.600481 Fe\n0.000428 0.000428 0.999026 Fe\n0.400381 0.400381 0.399594 Fe\n0.799454 0.799454 0.800822 Fe\n0.298045 0.298045 0.298494 O\n0.500265 0.500265 0.498687 O\n0.898053 0.898053 0.905489 O\n0.702593 0.702593 0.693004 O\n0.101703 0.101703 0.104879 O\n0.095836 0.602846 0.592338 O\n0.299679 0.800122 0.801464 O\n0.701360 0.192146 0.201947 O\n0.502593 0.999641 0.006846 O\n0.900789 0.407021 0.397857 O\n0.602846 0.095836 0.592338 O\n0.800122 0.299679 0.801464 O\n0.192146 0.701360 0.201947 O\n0.999641 0.502593 0.006846 O\n0.407021 0.900789 0.397857 O\n","nsites":25,"nelements":5,"elements":["Sr","La","Cr","Fe","O"],"chemical_system":"Cr-Fe-La-O-Sr","density":5.585014777761065,"density_atomic":0.08368663627797526,"volume":298.73347898653117,"volume_molar":7.196060240725571,"formula_full":"Sr4 La1 Cr1 Fe4 O15","formula_reduced":"Sr4LaCrFe4O15","formula_anonymous":"ABC4D4E15","energy":-189.90980583,"energy_per_atom":-7.5963922332000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.58180583,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.9616084,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.228000Z","spacegroup":8},{"id":"mp-771162","created_at":"2022-09-04T14:40:26.504994Z","structure_string":"Na6 Cu2 Si2 C2 O14\n1.0\n6.545884 0.000000 0.000000\n0.000000 5.153253 0.000000\n0.000000 0.160752 9.099185\nNa Cu Si C O\n6 2 2 2 14\ndirect\n0.750000 0.235343 0.910101 Na\n0.991095 0.747833 0.733004 Na\n0.508905 0.747833 0.733004 Na\n0.491095 0.252167 0.266996 Na\n0.008905 0.252167 0.266996 Na\n0.250000 0.764657 0.089899 Na\n0.250000 0.210643 0.650889 Cu\n0.750000 0.789357 0.349111 Cu\n0.750000 0.292891 0.576441 Si\n0.250000 0.707109 0.423559 Si\n0.250000 0.271778 0.940233 C\n0.750000 0.728222 0.059767 C\n0.750000 0.715260 0.918632 O\n0.250000 0.047697 0.877031 O\n0.250000 0.480105 0.858518 O\n0.945603 0.220098 0.684690 O\n0.554397 0.220098 0.684690 O\n0.750000 0.609748 0.541723 O\n0.250000 0.850557 0.582002 O\n0.750000 0.149443 0.417998 O\n0.250000 0.390252 0.458277 O\n0.445603 0.779902 0.315310 O\n0.054397 0.779902 0.315310 O\n0.750000 0.519895 0.141482 O\n0.750000 0.952303 0.122969 O\n0.250000 0.284740 0.081368 O\n","nsites":26,"nelements":5,"elements":["Na","Cu","Si","C","O"],"chemical_system":"C-Cu-Na-O-Si","density":3.0794480058180693,"density_atomic":0.08470734764921613,"volume":306.9391348158993,"volume_molar":7.10934874851524,"formula_full":"Na6 Cu2 Si2 C2 O14","formula_reduced":"Na3CuSiCO7","formula_anonymous":"ABCD3E7","energy":-168.62888406,"energy_per_atom":-6.4857263099999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.01088406,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7698309,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.226000Z","spacegroup":11},{"id":"mp-1292063","created_at":"2022-09-04T14:41:01.847618Z","structure_string":"Sr8 Ti4 Fe4 O24\n1.0\n3.922341 0.000001 0.000002\n0.000005 7.875473 7.904428\n0.000002 -7.875475 7.904431\nSr Ti Fe O\n8 4 4 24\ndirect\n0.500000 0.502984 0.753265 Sr\n0.500000 0.254479 0.001299 Sr\n0.500001 0.751349 0.504409 Sr\n0.500000 0.003036 0.252906 Sr\n0.500001 0.746736 0.997016 Sr\n0.499998 0.498700 0.245523 Sr\n0.500000 0.995590 0.748652 Sr\n0.500000 0.247095 0.496963 Sr\n0.999998 0.248428 0.748323 Ti\n0.000000 0.001458 0.001633 Ti\n0.000001 0.498363 0.498541 Ti\n0.000002 0.751677 0.251571 Ti\n0.999997 0.749935 0.750071 Fe\n0.000000 0.000867 0.499134 Fe\n0.000000 0.500024 0.999978 Fe\n0.000000 0.249134 0.250865 Fe\n0.999999 0.377252 0.883348 O\n0.000000 0.117071 0.123029 O\n0.999997 0.633387 0.627256 O\n0.000003 0.873026 0.367015 O\n0.000001 0.616655 0.122746 O\n0.000001 0.376971 0.382930 O\n0.999999 0.872744 0.866613 O\n0.999999 0.132988 0.626974 O\n0.999998 0.381632 0.631639 O\n0.999999 0.124980 0.874952 O\n0.999999 0.625048 0.375022 O\n0.000000 0.868358 0.118366 O\n0.500002 0.255331 0.755418 O\n0.499998 0.994618 0.994550 O\n0.499999 0.505450 0.505380 O\n0.500004 0.744582 0.244668 O\n0.999995 0.624946 0.875053 O\n0.000000 0.371823 0.128178 O\n0.000001 0.878260 0.621737 O\n0.000001 0.124981 0.375018 O\n0.500002 0.498112 0.001887 O\n0.499999 0.249418 0.250581 O\n0.500002 0.751911 0.748089 O\n0.500003 0.000597 0.499401 O\n","nsites":40,"nelements":4,"elements":["Sr","Ti","Fe","O"],"chemical_system":"Fe-O-Sr-Ti","density":5.099857225199516,"density_atomic":0.08191009236649077,"volume":488.34031124061954,"volume_molar":7.352135232683052,"formula_full":"Sr8 Ti4 Fe4 O24","formula_reduced":"Sr2TiFeO6","formula_anonymous":"ABC2D6","energy":-312.97084748,"energy_per_atom":-7.824271186999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-287.45884748,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.7298614,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.226000Z","spacegroup":65},{"id":"mp-569496","created_at":"2022-09-04T14:40:57.487146Z","structure_string":"Ce1 Si2 Au4\n1.0\n2.186433 -6.949980 0.000000\n2.186433 6.949980 0.000000\n0.000000 0.000000 4.370050\nCe Si Au\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.584486 0.415514 0.500000 Si\n0.415514 0.584486 0.500000 Si\n0.173823 0.826177 0.500000 Au\n0.325958 0.674042 0.000000 Au\n0.826177 0.173823 0.500000 Au\n0.674042 0.325958 0.000000 Au\n","nsites":7,"nelements":3,"elements":["Ce","Si","Au"],"chemical_system":"Au-Ce-Si","density":12.304832603831965,"density_atomic":0.05270622479326574,"volume":132.81163709707374,"volume_molar":11.425862473780226,"formula_full":"Ce1 Si2 Au4","formula_reduced":"Ce(SiAu2)2","formula_anonymous":"AB2C4","energy":-33.1145606,"energy_per_atom":-4.7306515142857135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.1145606,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0079403,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.225000Z","spacegroup":65},{"id":"mp-1206364","created_at":"2022-09-04T14:40:14.533655Z","structure_string":"Mn2 Ni1 Sb1\n1.0\n0.000000 3.020255 3.020255\n3.020255 0.000000 3.020255\n3.020255 3.020255 0.000000\nMn Ni Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Sb\n","nsites":4,"nelements":3,"elements":["Mn","Ni","Sb"],"chemical_system":"Mn-Ni-Sb","density":8.749423073354924,"density_atomic":0.07259373801089758,"volume":55.101171390286176,"volume_molar":8.295675253829707,"formula_full":"Mn2 Ni1 Sb1","formula_reduced":"Mn2NiSb","formula_anonymous":"ABC2","energy":-28.1917854,"energy_per_atom":-7.04794635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.9997854,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.6604055,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.225000Z","spacegroup":216},{"id":"mp-1208761","created_at":"2022-09-04T14:40:27.484522Z","structure_string":"Sr4 Sm2 Ta2 O12\n1.0\n6.024444 0.000000 0.000000\n0.000000 5.884196 0.000000\n0.000000 5.850714 8.404742\nSr Sm Ta O\n4 2 2 12\ndirect\n0.457392 0.242008 0.747376 Sr\n0.542608 0.757992 0.252624 Sr\n0.957392 0.757992 0.752624 Sr\n0.042608 0.242008 0.247376 Sr\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.032477 0.319486 0.769281 O\n0.967523 0.680514 0.230719 O\n0.532477 0.680514 0.730719 O\n0.467523 0.319486 0.269281 O\n0.726693 0.864819 0.947615 O\n0.273307 0.135181 0.052385 O\n0.226693 0.135181 0.552385 O\n0.773307 0.864819 0.447615 O\n0.189627 0.767857 0.956911 O\n0.810373 0.232143 0.043089 O\n0.689627 0.232143 0.543089 O\n0.310373 0.767857 0.456911 O\n","nsites":20,"nelements":4,"elements":["Sr","Sm","Ta","O"],"chemical_system":"O-Sm-Sr-Ta","density":6.716446697084901,"density_atomic":0.06712765978105394,"volume":297.93977721304066,"volume_molar":8.971176381899856,"formula_full":"Sr4 Sm2 Ta2 O12","formula_reduced":"Sr2SmTaO6","formula_anonymous":"ABC2D6","energy":-170.22400404,"energy_per_atom":-8.511200202000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.98000404,"band_gap":3.7716,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013362,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.224000Z","spacegroup":14},{"id":"mp-9710","created_at":"2022-09-04T14:40:57.982370Z","structure_string":"Sr4 Si10 N16\n1.0\n5.748933 0.000000 0.000000\n0.000000 6.881027 0.000000\n0.000000 0.000000 9.404820\nSr Si N\n4 10 16\ndirect\n0.500000 0.115883 0.868275 Sr\n0.000000 0.884117 0.368275 Sr\n0.500000 0.126543 0.499773 Sr\n0.000000 0.873457 0.999773 Sr\n0.500000 0.598207 0.401891 Si\n0.000000 0.401793 0.901891 Si\n0.500000 0.580208 0.961125 Si\n0.000000 0.419792 0.461125 Si\n0.500000 0.945109 0.177535 Si\n0.000000 0.054891 0.677535 Si\n0.751744 0.332310 0.182897 Si\n0.748256 0.667690 0.682897 Si\n0.248256 0.332310 0.182897 Si\n0.251744 0.667690 0.682897 Si\n0.500000 0.574982 0.771802 N\n0.000000 0.425018 0.271802 N\n0.500000 0.825774 0.338419 N\n0.000000 0.174226 0.838419 N\n0.500000 0.413675 0.273272 N\n0.000000 0.586325 0.773272 N\n0.749412 0.556162 0.510979 N\n0.750588 0.443838 0.010979 N\n0.250588 0.556162 0.510979 N\n0.249412 0.443838 0.010979 N\n0.747806 0.086476 0.171789 N\n0.752194 0.913524 0.671789 N\n0.252194 0.086476 0.171789 N\n0.247806 0.913524 0.671789 N\n0.000000 0.190290 0.521928 N\n0.500000 0.809710 0.021928 N\n","nsites":30,"nelements":3,"elements":["Sr","Si","N"],"chemical_system":"N-Si-Sr","density":3.818112942837217,"density_atomic":0.08063623791516077,"volume":372.0411662999914,"volume_molar":7.468280906577055,"formula_full":"Sr4 Si10 N16","formula_reduced":"Sr2Si5N8","formula_anonymous":"A2B5C8","energy":-235.76153932,"energy_per_atom":-7.858717977333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.98553932,"band_gap":3.1972000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000586,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.223000Z","spacegroup":31},{"id":"mp-1221102","created_at":"2022-09-04T14:40:12.539983Z","structure_string":"Na1 Bi1 Te2\n1.0\n7.738561 -2.255219 0.000000\n7.738561 2.255219 0.000000\n7.081331 0.000000 3.850466\nNa Bi Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.254226 0.254226 0.254226 Te\n0.745774 0.745774 0.745774 Te\n","nsites":4,"nelements":3,"elements":["Na","Bi","Te"],"chemical_system":"Bi-Na-Te","density":6.019183235399421,"density_atomic":0.029762387766809686,"volume":134.39781886252774,"volume_molar":20.23406457567813,"formula_full":"Na1 Bi1 Te2","formula_reduced":"NaBiTe2","formula_anonymous":"ABC2","energy":-14.48034959,"energy_per_atom":-3.6200873975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.63634959,"band_gap":1.0652999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031962,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.223000Z","spacegroup":166},{"id":"mp-1109","created_at":"2022-09-04T14:41:01.482132Z","structure_string":"Sr5 Al9\n1.0\n12.030798 -2.933102 0.000000\n12.030798 2.933102 0.000000\n11.315710 0.000000 5.029704\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216803 0.216803 0.216803 Sr\n0.783197 0.783197 0.783197 Sr\n0.316858 0.316858 0.316858 Sr\n0.683142 0.683142 0.683142 Sr\n0.000000 0.000000 0.000000 Al\n0.124279 0.124279 0.124279 Al\n0.875721 0.875721 0.875721 Al\n0.724578 0.236379 0.236379 Al\n0.236379 0.236379 0.724578 Al\n0.236379 0.724578 0.236379 Al\n0.763621 0.275422 0.763621 Al\n0.275422 0.763621 0.763621 Al\n0.763621 0.763621 0.275422 Al\n","nsites":14,"nelements":2,"elements":["Sr","Al"],"chemical_system":"Al-Sr","density":3.1853708082970367,"density_atomic":0.039439737126194786,"volume":354.9719399803399,"volume_molar":15.269221345799133,"formula_full":"Sr5 Al9","formula_reduced":"Sr5Al9","formula_anonymous":"A5B9","energy":-45.89184968,"energy_per_atom":-3.277989262857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.89184968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0316248,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.222000Z","spacegroup":166},{"id":"mp-1245986","created_at":"2022-09-04T14:40:38.467939Z","structure_string":"Ba8 Ti2 N8\n1.0\n6.813531 0.136524 -0.129005\n2.666158 6.374396 -0.129752\n1.745053 2.636455 9.158658\nBa Ti N\n8 2 8\ndirect\n0.778752 0.575650 0.152821 Ba\n0.221248 0.424350 0.847179 Ba\n0.738223 0.225576 0.964235 Ba\n0.261777 0.774424 0.035765 Ba\n0.715645 0.503199 0.562928 Ba\n0.284355 0.496801 0.437072 Ba\n0.216806 0.968303 0.619620 Ba\n0.783194 0.031697 0.380380 Ba\n0.734780 0.839938 0.755198 Ti\n0.265220 0.160062 0.244802 Ti\n0.956180 0.691398 0.622424 N\n0.043820 0.308602 0.377576 N\n0.908627 0.813578 0.910816 N\n0.091373 0.186422 0.089184 N\n0.548386 0.670630 0.817004 N\n0.451614 0.329370 0.182996 N\n0.430688 0.860046 0.359600 N\n0.569312 0.139954 0.640400 N\n","nsites":18,"nelements":3,"elements":["Ba","Ti","N"],"chemical_system":"Ba-N-Ti","density":5.460541484166821,"density_atomic":0.04530871548325858,"volume":397.2745598283611,"volume_molar":13.2913517758524,"formula_full":"Ba8 Ti2 N8","formula_reduced":"Ba4TiN4","formula_anonymous":"AB4C4","energy":-114.54859706,"energy_per_atom":-6.363810947777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.66059706,"band_gap":0.8544000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0018553,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.222000Z","spacegroup":2},{"id":"mp-758866","created_at":"2022-09-04T14:40:27.265525Z","structure_string":"Na4 Li8 Ni4 C8 S2 O32\n1.0\n0.000000 6.881215 6.920033\n6.595784 0.000000 6.920033\n6.595784 6.881215 0.000000\nNa Li Ni C S O\n4 8 4 8 2 32\ndirect\n0.525842 0.525842 0.974158 Na\n0.275842 0.275842 0.724158 Na\n0.974158 0.974158 0.525842 Na\n0.724158 0.724158 0.275842 Na\n0.453461 0.810852 0.136475 Li\n0.650789 0.113525 0.439148 Li\n0.136475 0.599211 0.453461 Li\n0.439148 0.796539 0.650789 Li\n0.810852 0.453461 0.599211 Li\n0.113525 0.650789 0.796539 Li\n0.599211 0.136475 0.810852 Li\n0.796539 0.439148 0.113525 Li\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.125000 0.125000 Ni\n0.284191 0.898854 0.904491 C\n0.337536 0.345509 0.351146 C\n0.898854 0.284191 0.912464 C\n0.904491 0.912464 0.284191 C\n0.345509 0.337536 0.965809 C\n0.351146 0.965809 0.337536 C\n0.912464 0.904491 0.898854 C\n0.965809 0.351146 0.345509 C\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.282067 0.920015 0.029194 O\n0.481277 0.220806 0.329985 O\n0.314382 0.487733 0.231265 O\n0.283380 0.018735 0.762267 O\n0.296901 0.752046 0.915190 O\n0.560726 0.565895 0.564264 O\n0.487733 0.314382 0.966620 O\n0.214137 0.334810 0.497954 O\n0.940885 0.685736 0.684105 O\n0.018735 0.283380 0.935618 O\n0.915190 0.035863 0.296901 O\n0.497954 0.953099 0.214137 O\n0.029194 0.768723 0.282067 O\n0.329985 0.967933 0.481277 O\n0.565895 0.560726 0.309115 O\n0.564264 0.309115 0.560726 O\n0.685736 0.940885 0.689274 O\n0.684105 0.689274 0.940885 O\n0.920015 0.282067 0.768723 O\n0.220806 0.481277 0.967933 O\n0.752046 0.296901 0.035863 O\n0.334810 0.214137 0.953099 O\n0.231265 0.966620 0.314382 O\n0.309115 0.564264 0.565895 O\n0.035863 0.915190 0.752046 O\n0.762267 0.935618 0.283380 O\n0.689274 0.684105 0.685736 O\n0.953099 0.497954 0.334810 O\n0.966620 0.231265 0.487733 O\n0.935618 0.762267 0.018735 O\n0.768723 0.029194 0.920015 O\n0.967933 0.329985 0.220806 O\n","nsites":58,"nelements":6,"elements":["Na","Li","Ni","C","S","O"],"chemical_system":"C-Li-Na-Ni-O-S","density":2.7874577284119737,"density_atomic":0.09233328354838029,"volume":628.159183460745,"volume_molar":6.522177624978053,"formula_full":"Na4 Li8 Ni4 C8 S2 O32","formula_reduced":"Na2Li4Ni2C4SO16","formula_anonymous":"AB2C2D4E4F16","energy":-398.97220548,"energy_per_atom":-6.878831128965517,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-366.82420548,"band_gap":2.9563,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000796,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.219000Z","spacegroup":70},{"id":"mp-11883","created_at":"2022-09-04T14:40:54.366156Z","structure_string":"Mg4 Ir8\n1.0\n2.606239 -4.514138 0.000000\n2.606239 4.514138 0.000000\n0.000000 0.000000 8.453040\nMg Ir\n4 8\ndirect\n0.333333 0.666667 0.069374 Mg\n0.666667 0.333333 0.569374 Mg\n0.666667 0.333333 0.930626 Mg\n0.333333 0.666667 0.430626 Mg\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.828138 0.656276 0.250000 Ir\n0.171862 0.828138 0.750000 Ir\n0.656276 0.828138 0.750000 Ir\n0.343724 0.171862 0.250000 Ir\n0.828138 0.171862 0.250000 Ir\n0.171862 0.343724 0.750000 Ir\n","nsites":12,"nelements":2,"elements":["Mg","Ir"],"chemical_system":"Ir-Mg","density":13.649702196175793,"density_atomic":0.06033221296660592,"volume":198.89872109683824,"volume_molar":9.981634128576177,"formula_full":"Mg4 Ir8","formula_reduced":"MgIr2","formula_anonymous":"AB2","energy":-80.74682186,"energy_per_atom":-6.728901821666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.74682186,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025532,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.218000Z","spacegroup":194}]}