{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=73","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=71","results":[{"id":"mp-1523377","created_at":"2022-09-04T14:41:45.161060Z","structure_string":"Ca1 Hf1 Nb1 In1 O6\n1.0\n-0.000000 -4.101034 -4.101034\n4.101034 -0.000000 -4.101034\n4.101034 -4.101034 -0.000000\nCa Hf Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 In\n0.745873 0.254127 0.254127 O\n0.254127 0.745873 0.745873 O\n0.745873 0.254127 0.745873 O\n0.254127 0.745873 0.254127 O\n0.745873 0.745873 0.254127 O\n0.254127 0.254127 0.745873 O\n","nsites":10,"nelements":5,"elements":["Ca","Hf","Nb","In","O"],"chemical_system":"Ca-Hf-In-Nb-O","density":6.287090161271375,"density_atomic":0.07249196878223486,"volume":137.94631554344866,"volume_molar":8.307321295260238,"formula_full":"Ca1 Hf1 Nb1 In1 O6","formula_reduced":"CaHfNbInO6","formula_anonymous":"ABCDE6","energy":-84.55332536,"energy_per_atom":-8.455332536,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.43132536,"band_gap":0.5366999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.818000Z","spacegroup":216},{"id":"mp-1519874","created_at":"2022-09-04T14:47:08.966442Z","structure_string":"Ca1 La1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.133352 -4.133352\n4.133352 0.000000 -4.133352\n4.133352 -4.133352 0.000000\nCa La Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Fe\n-0.000000 -0.000000 -0.000000 Bi\n0.738128 0.261872 0.261872 O\n0.261872 0.738128 0.738128 O\n0.738128 0.261872 0.738128 O\n0.261872 0.738128 0.261872 O\n0.738128 0.738128 0.261872 O\n0.261872 0.261872 0.738128 O\n","nsites":10,"nelements":5,"elements":["Ca","La","Fe","Bi","O"],"chemical_system":"Bi-Ca-Fe-La-O","density":6.346715730010677,"density_atomic":0.07080482097375364,"volume":141.23332087382667,"volume_molar":8.505269383044304,"formula_full":"Ca1 La1 Fe1 Bi1 O6","formula_reduced":"CaLaFeBiO6","formula_anonymous":"ABCDE6","energy":-71.81916221,"energy_per_atom":-7.181916221,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.44116221,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.1296203,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.826000Z","spacegroup":216},{"id":"mp-1517681","created_at":"2022-09-04T14:46:00.599998Z","structure_string":"Sr1 Nb1 Cr1 Sn1 O6\n1.0\n0.000000 -4.008727 -4.008727\n4.008727 0.000000 -4.008727\n4.008727 -4.008727 0.000000\nSr Nb Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Sn\n0.750241 0.249759 0.249759 O\n0.249759 0.750241 0.750241 O\n0.750241 0.249759 0.750241 O\n0.249759 0.750241 0.249759 O\n0.750241 0.750241 0.249759 O\n0.249759 0.249759 0.750241 O\n","nsites":10,"nelements":5,"elements":["Sr","Nb","Cr","Sn","O"],"chemical_system":"Cr-Nb-O-Sn-Sr","density":5.764073350562641,"density_atomic":0.07761587552228022,"volume":128.83962118200193,"volume_molar":7.758903342230932,"formula_full":"Sr1 Nb1 Cr1 Sn1 O6","formula_reduced":"SrNbCrSnO6","formula_anonymous":"ABCDE6","energy":-81.33695191999999,"energy_per_atom":-8.133695192,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.21595192,"band_gap":2.1416999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.946000Z","spacegroup":216},{"id":"mp-1519646","created_at":"2022-09-04T14:42:03.697789Z","structure_string":"Ba2 Dy2 Sn2 Sb2 O12\n1.0\n5.932004 0.000000 0.000000\n0.000000 5.932004 0.000000\n0.000000 0.000000 8.530837\nBa Dy Sn Sb O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 0.250000 Ba\n0.500000 -0.000000 0.750000 Ba\n-0.000000 -0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.500000 -0.000000 0.250000 Sn\n0.000000 0.500000 0.750000 Sn\n0.000000 -0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 -0.000000 0.263226 O\n0.500000 0.500000 0.236774 O\n0.000000 -0.000000 0.736774 O\n0.500000 0.500000 0.763226 O\n0.311392 0.217605 0.012426 O\n0.688608 0.782395 0.012426 O\n0.782395 0.311392 0.987574 O\n0.217605 0.688608 0.987574 O\n0.811392 0.282395 0.512426 O\n0.188608 0.717605 0.512426 O\n0.282395 0.188608 0.487574 O\n0.717605 0.811392 0.487574 O\n","nsites":20,"nelements":5,"elements":["Ba","Dy","Sn","Sb","O"],"chemical_system":"Ba-Dy-O-Sb-Sn","density":7.039502983346978,"density_atomic":0.06662473296250677,"volume":300.1888204378252,"volume_molar":9.03889665627474,"formula_full":"Ba2 Dy2 Sn2 Sb2 O12","formula_reduced":"BaDySnSbO6","formula_anonymous":"ABCDE6","energy":-141.3407089,"energy_per_atom":-7.067035445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.0967089,"band_gap":2.3335,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.71e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.265000Z","spacegroup":118},{"id":"mp-1519609","created_at":"2022-09-04T14:45:00.091791Z","structure_string":"Na1 Sr1 Ce1 Sb1 O6\n1.0\n-0.000000 -4.209981 -4.209981\n4.209981 0.000000 -4.209981\n4.209981 -4.209981 -0.000000\nNa Sr Ce Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.737485 0.262515 0.262515 O\n0.262515 0.737485 0.737485 O\n0.737485 0.262515 0.737485 O\n0.262515 0.737485 0.262515 O\n0.737485 0.737485 0.262515 O\n0.262515 0.262515 0.737485 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Ce","Sb","O"],"chemical_system":"Ce-Na-O-Sb-Sr","density":5.212808374417071,"density_atomic":0.06700845380036762,"volume":149.23490146171883,"volume_molar":8.987135829072006,"formula_full":"Na1 Sr1 Ce1 Sb1 O6","formula_reduced":"NaSrCeSbO6","formula_anonymous":"ABCDE6","energy":-70.7698807,"energy_per_atom":-7.0769880700000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.6478807,"band_gap":1.9744,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.395000Z","spacegroup":216},{"id":"mp-1520917","created_at":"2022-09-04T14:43:22.578275Z","structure_string":"Na1 Sr1 Ce1 W1 O6\n1.0\n0.000000 -4.229536 -4.229536\n4.229536 -0.000000 -4.229536\n4.229536 -4.229536 0.000000\nNa Sr Ce W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 W\n0.732955 0.267045 0.267045 O\n0.267045 0.732955 0.732955 O\n0.732955 0.267045 0.732955 O\n0.267045 0.732955 0.267045 O\n0.732955 0.732955 0.267045 O\n0.267045 0.267045 0.732955 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Ce","W","O"],"chemical_system":"Ce-Na-O-Sr-W","density":5.822067074097916,"density_atomic":0.06608331591767168,"volume":151.3241256304127,"volume_molar":9.112951849302691,"formula_full":"Na1 Sr1 Ce1 W1 O6","formula_reduced":"NaSrCeWO6","formula_anonymous":"ABCDE6","energy":-79.75610335,"energy_per_atom":-7.975610335000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.19610335,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.168000Z","spacegroup":216},{"id":"mp-1522824","created_at":"2022-09-04T14:42:14.901759Z","structure_string":"Na1 Eu1 Hf1 Sn1 O6\n1.0\n-0.000000 -4.093495 -4.093495\n4.093495 -0.000000 -4.093495\n4.093495 -4.093495 -0.000000\nNa Eu Hf Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749795 0.250205 0.250205 O\n0.250205 0.749795 0.749795 O\n0.749795 0.250205 0.749795 O\n0.250205 0.749795 0.250205 O\n0.749795 0.749795 0.250205 O\n0.250205 0.250205 0.749795 O\n","nsites":10,"nelements":5,"elements":["Na","Eu","Hf","Sn","O"],"chemical_system":"Eu-Hf-Na-O-Sn","density":6.877006731408364,"density_atomic":0.07289323280639642,"volume":137.1869460990965,"volume_molar":8.26159099843292,"formula_full":"Na1 Eu1 Hf1 Sn1 O6","formula_reduced":"NaEuHfSnO6","formula_anonymous":"ABCDE6","energy":-83.41273726,"energy_per_atom":-8.341273726,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.29073726,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0004835,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.409000Z","spacegroup":216},{"id":"mp-1518397","created_at":"2022-09-04T14:41:45.411145Z","structure_string":"Ba1 Li1 Hf1 Bi1 O6\n1.0\n0.000000 -4.186790 -4.186790\n4.186790 0.000000 -4.186790\n4.186790 -4.186790 0.000000\nBa Li Hf Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Bi\n0.747112 0.252888 0.252888 O\n0.252888 0.747112 0.747112 O\n0.747112 0.252888 0.747112 O\n0.252888 0.747112 0.252888 O\n0.747112 0.747112 0.252888 O\n0.252888 0.252888 0.747112 O\n","nsites":10,"nelements":5,"elements":["Ba","Li","Hf","Bi","O"],"chemical_system":"Ba-Bi-Hf-Li-O","density":7.101527492390601,"density_atomic":0.06812813019919428,"volume":146.78224649292173,"volume_molar":8.83943349449391,"formula_full":"Ba1 Li1 Hf1 Bi1 O6","formula_reduced":"BaLiHfBiO6","formula_anonymous":"ABCDE6","energy":-73.12297257,"energy_per_atom":-7.312297257,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.00097257,"band_gap":1.1166,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.635000Z","spacegroup":216},{"id":"mp-1519799","created_at":"2022-09-04T14:43:56.863575Z","structure_string":"Sr1 Nd1 Mn1 Sn1 O6\n1.0\n0.000000 -4.025502 -4.025502\n4.025502 0.000000 -4.025502\n4.025502 -4.025502 0.000000\nSr Nd Mn Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n0.753266 0.246734 0.246734 O\n0.246734 0.753266 0.753266 O\n0.753266 0.246734 0.753266 O\n0.246734 0.753266 0.246734 O\n0.753266 0.753266 0.246734 O\n0.246734 0.246734 0.753266 O\n","nsites":10,"nelements":5,"elements":["Sr","Nd","Mn","Sn","O"],"chemical_system":"Mn-Nd-O-Sn-Sr","density":6.38315631984572,"density_atomic":0.07664959493088598,"volume":130.46383361864966,"volume_molar":7.856715701407283,"formula_full":"Sr1 Nd1 Mn1 Sn1 O6","formula_reduced":"SrNdMnSnO6","formula_anonymous":"ABCDE6","energy":-75.64676742,"energy_per_atom":-7.5646767420000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.85676742,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000008,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.292000Z","spacegroup":216},{"id":"mp-1522264","created_at":"2022-09-04T14:45:04.511098Z","structure_string":"Eu1 Zr1 Fe1 Bi1 O6\n1.0\n0.000000 -4.063866 -4.063866\n4.063866 0.000000 -4.063866\n4.063866 -4.063866 0.000000\nEu Zr Fe Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Bi\n0.755489 0.244511 0.244511 O\n0.244511 0.755489 0.755489 O\n0.755489 0.244511 0.755489 O\n0.244511 0.755489 0.244511 O\n0.755489 0.755489 0.244511 O\n0.244511 0.244511 0.755489 O\n","nsites":10,"nelements":5,"elements":["Eu","Zr","Fe","Bi","O"],"chemical_system":"Bi-Eu-Fe-O-Zr","density":7.472139116300215,"density_atomic":0.07449924413844336,"volume":134.2295497846503,"volume_molar":8.083492429545917,"formula_full":"Eu1 Zr1 Fe1 Bi1 O6","formula_reduced":"EuZrFeBiO6","formula_anonymous":"ABCDE6","energy":-85.71504517,"energy_per_atom":-8.571504517,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.33704517,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.8377329,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.352000Z","spacegroup":216},{"id":"mp-1227852","created_at":"2022-09-04T14:41:45.136816Z","structure_string":"Ba1 La1 Ti1 Cu1 O6\n1.0\n0.000000 3.973924 3.973924\n3.973924 0.000000 3.973924\n3.973924 3.973924 0.000000\nBa La Ti Cu O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Cu\n0.003028 0.496972 0.496972 O\n0.496972 0.003028 0.003028 O\n0.003028 0.496972 0.003028 O\n0.496972 0.003028 0.496972 O\n0.496972 0.496972 0.003028 O\n0.003028 0.003028 0.496972 O\n","nsites":10,"nelements":5,"elements":["Ba","La","Ti","Cu","O"],"chemical_system":"Ba-Cu-La-O-Ti","density":6.398590577851808,"density_atomic":0.07967302983662183,"volume":125.51298752546604,"volume_molar":7.558568780864806,"formula_full":"Ba1 La1 Ti1 Cu1 O6","formula_reduced":"BaLaTiCuO6","formula_anonymous":"ABCDE6","energy":-76.9161219,"energy_per_atom":-7.691612189999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.7941219,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9113509,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.479000Z","spacegroup":216},{"id":"mp-1227701","created_at":"2022-09-04T14:43:56.462455Z","structure_string":"Ba1 Sr1 Ca1 W1 O6\n1.0\n2.979674 5.127691 0.000000\n-2.979674 5.127691 0.000000\n0.000000 3.438129 4.900562\nBa Sr Ca W O\n1 1 1 1 6\ndirect\n0.750569 0.750569 0.246107 Ba\n0.247912 0.247912 0.768091 Sr\n0.000897 0.000897 0.500054 Ca\n0.500258 0.500258 0.999191 W\n0.298278 0.780144 0.177195 O\n0.236488 0.682603 0.803646 O\n0.682603 0.236488 0.803646 O\n0.780144 0.298278 0.177195 O\n0.274620 0.274620 0.311455 O\n0.728231 0.728231 0.713418 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Ca","W","O"],"chemical_system":"Ba-Ca-O-Sr-W","density":6.041832180146521,"density_atomic":0.06677801703279737,"volume":149.7498794414425,"volume_molar":9.018148527893969,"formula_full":"Ba1 Sr1 Ca1 W1 O6","formula_reduced":"BaSrCaWO6","formula_anonymous":"ABCDE6","energy":-78.53069081,"energy_per_atom":-7.853069080999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.97069081,"band_gap":3.405,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.37e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.527000Z","spacegroup":8}]}