{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=12164","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=12162","results":[{"id":"mp-997588","created_at":"2022-09-04T14:42:27.436894Z","structure_string":"La8 Al7 B1 O24\n1.0\n7.574886 0.000000 0.000000\n0.000000 7.574886 0.000000\n0.000000 0.000000 7.574886\nLa Al B O\n8 7 1 24\ndirect\n0.247353 0.247353 0.247353 La\n0.247353 0.247353 0.752647 La\n0.247353 0.752647 0.247353 La\n0.247353 0.752647 0.752647 La\n0.752647 0.247353 0.247353 La\n0.752647 0.247353 0.752647 La\n0.752647 0.752647 0.247353 La\n0.752647 0.752647 0.752647 La\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.000000 0.236523 0.000000 O\n0.000000 0.248054 0.500000 O\n0.000000 0.763477 0.000000 O\n0.000000 0.751946 0.500000 O\n0.500000 0.248054 0.000000 O\n0.500000 0.248901 0.500000 O\n0.500000 0.751946 0.000000 O\n0.500000 0.751099 0.500000 O\n0.000000 0.000000 0.236523 O\n0.000000 0.000000 0.763477 O\n0.000000 0.500000 0.248054 O\n0.000000 0.500000 0.751946 O\n0.500000 0.000000 0.248054 O\n0.500000 0.000000 0.751946 O\n0.500000 0.500000 0.248901 O\n0.500000 0.500000 0.751099 O\n0.236523 0.000000 0.000000 O\n0.248054 0.000000 0.500000 O\n0.248054 0.500000 0.000000 O\n0.248901 0.500000 0.500000 O\n0.763477 0.000000 0.000000 O\n0.751946 0.000000 0.500000 O\n0.751946 0.500000 0.000000 O\n0.751099 0.500000 0.500000 O\n","nsites":40,"nelements":4,"elements":["La","Al","B","O"],"chemical_system":"Al-B-La-O","density":6.47541676726943,"density_atomic":0.09203048011381056,"volume":434.63861049658266,"volume_molar":6.543637230353085,"formula_full":"La8 Al7 B1 O24","formula_reduced":"La8Al7BO24","formula_anonymous":"AB7C8D24","energy":-334.2502219,"energy_per_atom":-8.3562555475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-317.7622219,"band_gap":3.5096,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0011014,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.005000Z","spacegroup":221},{"id":"mp-997589","created_at":"2022-09-04T14:42:28.720607Z","structure_string":"La8 Al7 In1 O24\n1.0\n7.720023 0.000000 0.000000\n0.000000 7.720023 0.000000\n0.000000 0.000000 7.720023\nLa Al In O\n8 7 1 24\ndirect\n0.253290 0.253290 0.253290 La\n0.253290 0.253290 0.746710 La\n0.253290 0.746710 0.253290 La\n0.253290 0.746710 0.746710 La\n0.746710 0.253290 0.253290 La\n0.746710 0.253290 0.746710 La\n0.746710 0.746710 0.253290 La\n0.746710 0.746710 0.746710 La\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.000000 0.267074 0.000000 O\n0.000000 0.253142 0.500000 O\n0.000000 0.732926 0.000000 O\n0.000000 0.746858 0.500000 O\n0.500000 0.253142 0.000000 O\n0.500000 0.251808 0.500000 O\n0.500000 0.746858 0.000000 O\n0.500000 0.748192 0.500000 O\n0.000000 0.000000 0.267074 O\n0.000000 0.000000 0.732926 O\n0.000000 0.500000 0.253142 O\n0.000000 0.500000 0.746858 O\n0.500000 0.000000 0.253142 O\n0.500000 0.000000 0.746858 O\n0.500000 0.500000 0.251808 O\n0.500000 0.500000 0.748192 O\n0.267074 0.000000 0.000000 O\n0.253142 0.000000 0.500000 O\n0.253142 0.500000 0.000000 O\n0.251808 0.500000 0.500000 O\n0.732926 0.000000 0.000000 O\n0.746858 0.000000 0.500000 O\n0.746858 0.500000 0.000000 O\n0.748192 0.500000 0.500000 O\n","nsites":40,"nelements":4,"elements":["La","Al","In","O"],"chemical_system":"Al-In-La-O","density":6.492391696282563,"density_atomic":0.08693691173868683,"volume":460.1037603018517,"volume_molar":6.927024021857627,"formula_full":"La8 Al7 In1 O24","formula_reduced":"La8Al7InO24","formula_anonymous":"AB7C8D24","energy":-329.9146628,"energy_per_atom":-8.24786657,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.4266628,"band_gap":3.3008000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.15e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.255000Z","spacegroup":221},{"id":"mp-997590","created_at":"2022-09-04T14:45:37.514697Z","structure_string":"La8 Mg1 Al7 O24\n1.0\n7.668729 0.000000 0.000000\n0.000000 7.668729 0.000000\n0.000000 0.000000 7.668729\nLa Mg Al O\n8 1 7 24\ndirect\n0.248901 0.248901 0.248901 La\n0.248901 0.248901 0.751099 La\n0.248901 0.751099 0.248901 La\n0.248901 0.751099 0.751099 La\n0.751099 0.248901 0.248901 La\n0.751099 0.248901 0.751099 La\n0.751099 0.751099 0.248901 La\n0.751099 0.751099 0.751099 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.260603 0.000000 O\n0.000000 0.251810 0.500000 O\n0.000000 0.739397 0.000000 O\n0.000000 0.748190 0.500000 O\n0.500000 0.251810 0.000000 O\n0.500000 0.250256 0.500000 O\n0.500000 0.748190 0.000000 O\n0.500000 0.749744 0.500000 O\n0.000000 0.000000 0.260603 O\n0.000000 0.000000 0.739397 O\n0.000000 0.500000 0.251810 O\n0.000000 0.500000 0.748190 O\n0.500000 0.000000 0.251810 O\n0.500000 0.000000 0.748190 O\n0.500000 0.500000 0.250256 O\n0.500000 0.500000 0.749744 O\n0.260603 0.000000 0.000000 O\n0.251810 0.000000 0.500000 O\n0.251810 0.500000 0.000000 O\n0.250256 0.500000 0.500000 O\n0.739397 0.000000 0.000000 O\n0.748190 0.000000 0.500000 O\n0.748190 0.500000 0.000000 O\n0.749744 0.500000 0.500000 O\n","nsites":40,"nelements":4,"elements":["La","Mg","Al","O"],"chemical_system":"Al-La-Mg-O","density":6.2902773100967035,"density_atomic":0.08869309679371593,"volume":450.9933855735442,"volume_molar":6.78986412438209,"formula_full":"La8 Mg1 Al7 O24","formula_reduced":"La8MgAl7O24","formula_anonymous":"AB7C8D24","energy":-331.27995649,"energy_per_atom":-8.28199891225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-314.79195649,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007455,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.189000Z","spacegroup":221},{"id":"mp-997591","created_at":"2022-09-04T14:47:55.675589Z","structure_string":"Cs1 Na7 Ta8 O24\n1.0\n8.003384 0.000000 0.000000\n0.000000 8.003384 0.000000\n0.000000 0.000000 8.003384\nCs Na Ta O\n1 7 8 24\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.251860 0.251860 0.251860 Ta\n0.251860 0.251860 0.748140 Ta\n0.251860 0.748140 0.251860 Ta\n0.251860 0.748140 0.748140 Ta\n0.748140 0.251860 0.251860 Ta\n0.748140 0.251860 0.748140 Ta\n0.748140 0.748140 0.251860 Ta\n0.748140 0.748140 0.748140 Ta\n0.257004 0.000000 0.257004 O\n0.257004 0.000000 0.742996 O\n0.252032 0.500000 0.252032 O\n0.252032 0.500000 0.747968 O\n0.742996 0.000000 0.257004 O\n0.742996 0.000000 0.742996 O\n0.747968 0.500000 0.252032 O\n0.747968 0.500000 0.747968 O\n0.000000 0.257004 0.257004 O\n0.000000 0.257004 0.742996 O\n0.000000 0.742996 0.257004 O\n0.000000 0.742996 0.742996 O\n0.500000 0.252032 0.252032 O\n0.500000 0.252032 0.747968 O\n0.500000 0.747968 0.252032 O\n0.500000 0.747968 0.747968 O\n0.257004 0.257004 0.000000 O\n0.252032 0.252032 0.500000 O\n0.257004 0.742996 0.000000 O\n0.252032 0.747968 0.500000 O\n0.742996 0.257004 0.000000 O\n0.747968 0.252032 0.500000 O\n0.742996 0.742996 0.000000 O\n0.747968 0.747968 0.500000 O\n","nsites":40,"nelements":4,"elements":["Cs","Na","Ta","O"],"chemical_system":"Cs-Na-O-Ta","density":6.88445103928726,"density_atomic":0.07802594318887579,"volume":512.6500028736958,"volume_molar":7.718126194799502,"formula_full":"Cs1 Na7 Ta8 O24","formula_reduced":"CsNa7Ta8O24","formula_anonymous":"AB7C8D24","energy":-344.43100415,"energy_per_atom":-8.610775103749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-327.94300415,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0508587,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.988000Z","spacegroup":221},{"id":"mp-997599","created_at":"2022-09-04T14:43:12.223542Z","structure_string":"Na8 Ta7 V1 O24\n1.0\n7.918666 0.000000 0.000000\n0.000000 7.918666 0.000000\n0.000000 0.000000 7.918666\nNa Ta V O\n8 7 1 24\ndirect\n0.751460 0.751460 0.751460 Na\n0.751460 0.751460 0.248540 Na\n0.751460 0.248540 0.751460 Na\n0.751460 0.248540 0.248540 Na\n0.248540 0.751460 0.751460 Na\n0.248540 0.751460 0.248540 Na\n0.248540 0.248540 0.751460 Na\n0.248540 0.248540 0.248540 Na\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 V\n0.000000 0.756066 0.000000 O\n0.000000 0.750532 0.500000 O\n0.000000 0.243934 0.000000 O\n0.000000 0.249468 0.500000 O\n0.500000 0.750532 0.000000 O\n0.500000 0.750050 0.500000 O\n0.500000 0.249468 0.000000 O\n0.500000 0.249950 0.500000 O\n0.756066 0.000000 0.000000 O\n0.750532 0.000000 0.500000 O\n0.750532 0.500000 0.000000 O\n0.750050 0.500000 0.500000 O\n0.243934 0.000000 0.000000 O\n0.249468 0.000000 0.500000 O\n0.249468 0.500000 0.000000 O\n0.249950 0.500000 0.500000 O\n0.000000 0.000000 0.756066 O\n0.000000 0.000000 0.243934 O\n0.000000 0.500000 0.750532 O\n0.000000 0.500000 0.249468 O\n0.500000 0.000000 0.750532 O\n0.500000 0.000000 0.249468 O\n0.500000 0.500000 0.750050 O\n0.500000 0.500000 0.249950 O\n","nsites":40,"nelements":4,"elements":["Na","Ta","V","O"],"chemical_system":"Na-O-Ta-V","density":6.305434910812775,"density_atomic":0.08055711703451626,"volume":496.5420992270766,"volume_molar":7.475616037028358,"formula_full":"Na8 Ta7 V1 O24","formula_reduced":"Na8Ta7VO24","formula_anonymous":"AB7C8D24","energy":-339.13314465,"energy_per_atom":-8.47832861625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-320.94514465,"band_gap":1.2602000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.13e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.547000Z","spacegroup":221},{"id":"mp-9976","created_at":"2022-09-04T14:48:12.993412Z","structure_string":"Ba1 Sb12 Ru4\n1.0\n-4.719093 4.719093 4.719093\n4.719093 -4.719093 4.719093\n4.719093 4.719093 -4.719093\nBa Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.160424 0.816509 0.656085 Sb\n0.160424 0.504339 0.343915 Sb\n0.495661 0.656085 0.839576 Sb\n0.343915 0.839576 0.183491 Sb\n0.816509 0.656085 0.160424 Sb\n0.656085 0.839576 0.495661 Sb\n0.183491 0.343915 0.839576 Sb\n0.656085 0.160424 0.816509 Sb\n0.343915 0.160424 0.504339 Sb\n0.504339 0.343915 0.160424 Sb\n0.839576 0.495661 0.656085 Sb\n0.839576 0.183491 0.343915 Sb\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n","nsites":17,"nelements":3,"elements":["Ba","Sb","Ru"],"chemical_system":"Ba-Ru-Sb","density":7.911070423110667,"density_atomic":0.04044020250059318,"volume":420.3737604862548,"volume_molar":14.891470337992661,"formula_full":"Ba1 Sb12 Ru4","formula_reduced":"Ba(Sb3Ru)4","formula_anonymous":"AB4C12","energy":-96.46225782,"energy_per_atom":-5.6742504600000006,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.15825782,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031017,"is_theoretical":false,"updated_at":"2021-11-28T01:38:42.962000Z","spacegroup":204},{"id":"mp-997616","created_at":"2022-09-04T14:45:10.125024Z","structure_string":"Ba1 C1\n1.0\n0.000000 3.008617 3.008617\n3.008617 0.000000 3.008617\n3.008617 3.008617 0.000000\nBa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Ba","C"],"chemical_system":"Ba-C","density":4.552897202812625,"density_atomic":0.03671971354938911,"volume":54.466655828072845,"volume_molar":16.40029340615645,"formula_full":"Ba1 C1","formula_reduced":"BaC","formula_anonymous":"AB","energy":-8.36102614,"energy_per_atom":-4.18051307,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.36102614,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998289,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.338000Z","spacegroup":225},{"id":"mp-997617","created_at":"2022-09-04T14:40:19.706958Z","structure_string":"B1 Os1\n1.0\n1.448176 -2.508315 0.000000\n1.448176 2.508315 0.000000\n0.000000 0.000000 2.879359\nB Os\n1 1\ndirect\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 Os\n","nsites":2,"nelements":2,"elements":["B","Os"],"chemical_system":"B-Os","density":15.958956839078912,"density_atomic":0.0956094373793509,"volume":20.91843707922443,"volume_molar":6.298688628514639,"formula_full":"B1 Os1","formula_reduced":"BOs","formula_anonymous":"AB","energy":-18.38046882,"energy_per_atom":-9.19023441,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.38046882,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002179,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.860000Z","spacegroup":187},{"id":"mp-997618","created_at":"2022-09-04T14:46:25.291054Z","structure_string":"B1 Sb1\n1.0\n0.000000 2.641196 2.641196\n2.641196 0.000000 2.641196\n2.641196 2.641196 0.000000\nB Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 Sb\n","nsites":2,"nelements":2,"elements":["B","Sb"],"chemical_system":"B-Sb","density":5.974007196039766,"density_atomic":0.0542747844524625,"volume":36.84952451081099,"volume_molar":11.095651177158695,"formula_full":"B1 Sb1","formula_reduced":"BSb","formula_anonymous":"AB","energy":-10.26044751,"energy_per_atom":-5.130223755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.06844751,"band_gap":0.7506000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002022,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.720000Z","spacegroup":216},{"id":"mp-997630","created_at":"2022-09-04T14:47:18.938549Z","structure_string":"Zn12 O12\n1.0\n1.527739 -2.646121 0.000000\n1.527739 2.646121 0.000000\n0.000000 0.000000 30.409913\nZn O\n12 12\ndirect\n0.333333 0.666667 0.834938 Zn\n0.666667 0.333333 0.165062 Zn\n0.666667 0.333333 0.334938 Zn\n0.333333 0.666667 0.665062 Zn\n0.333333 0.666667 0.417472 Zn\n0.666667 0.333333 0.582528 Zn\n0.666667 0.333333 0.917472 Zn\n0.333333 0.666667 0.082528 Zn\n0.000000 0.000000 0.250000 Zn\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.958731 O\n0.666667 0.333333 0.041269 O\n0.666667 0.333333 0.458731 O\n0.333333 0.666667 0.541269 O\n0.333333 0.666667 0.206158 O\n0.666667 0.333333 0.793842 O\n0.666667 0.333333 0.706158 O\n0.333333 0.666667 0.293842 O\n0.000000 0.000000 0.123759 O\n0.000000 0.000000 0.876241 O\n0.000000 0.000000 0.623759 O\n0.000000 0.000000 0.376241 O\n","nsites":24,"nelements":2,"elements":["Zn","O"],"chemical_system":"O-Zn","density":6.597744974458736,"density_atomic":0.0976128973140458,"volume":245.86914906117198,"volume_molar":6.169410934115831,"formula_full":"Zn12 O12","formula_reduced":"ZnO","formula_anonymous":"AB","energy":-113.3161864,"energy_per_atom":-4.721507766666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.07218640000002,"band_gap":0.2816000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.403000Z","spacegroup":194},{"id":"mp-9977","created_at":"2022-09-04T14:41:34.984297Z","structure_string":"Er4 Fe2 C8\n1.0\n-2.497227 3.729920 4.749435\n2.497227 -3.729920 4.749435\n2.497227 3.729920 -4.749435\nEr Fe C\n4 2 8\ndirect\n0.510947 0.855390 0.655558 Er\n0.489053 0.144610 0.344442 Er\n0.800168 0.644610 0.155558 Er\n0.199832 0.355390 0.844442 Er\n0.000000 0.250000 0.250000 Fe\n0.000000 0.750000 0.750000 Fe\n0.244211 0.578050 0.666160 C\n0.755789 0.421950 0.333840 C\n0.088110 0.921950 0.166160 C\n0.911890 0.078050 0.833840 C\n0.468086 0.629384 0.838701 C\n0.531914 0.370616 0.161299 C\n0.790683 0.129384 0.661299 C\n0.209317 0.870616 0.338701 C\n","nsites":14,"nelements":3,"elements":["Er","Fe","C"],"chemical_system":"C-Er-Fe","density":8.228030740902604,"density_atomic":0.07911677154251218,"volume":176.95363103229403,"volume_molar":7.611711957639849,"formula_full":"Er4 Fe2 C8","formula_reduced":"Er2FeC4","formula_anonymous":"AB2C4","energy":-113.35950705000002,"energy_per_atom":-8.097107646428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.35950705000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001218,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.343000Z","spacegroup":72},{"id":"mp-9978","created_at":"2022-09-04T14:47:07.153013Z","structure_string":"Er2 Se4\n1.0\n4.048683 0.000000 0.000000\n0.000000 4.048683 0.000000\n0.000000 0.000000 8.282225\nEr Se\n2 4\ndirect\n0.000000 0.500000 0.726076 Er\n0.500000 0.000000 0.273924 Er\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.000000 0.629569 Se\n0.000000 0.500000 0.370431 Se\n","nsites":6,"nelements":2,"elements":["Er","Se"],"chemical_system":"Er-Se","density":7.954758721170008,"density_atomic":0.044195360168348706,"volume":135.76085763629564,"volume_molar":13.626183239734889,"formula_full":"Er2 Se4","formula_reduced":"ErSe2","formula_anonymous":"AB2","energy":-34.13605957,"energy_per_atom":-5.689343261666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.24805957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000233,"is_theoretical":false,"updated_at":"2021-11-28T01:37:52.032000Z","spacegroup":129}]}