{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=38","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=36","results":[{"id":"mp-1522301","created_at":"2022-09-04T14:45:14.441031Z","structure_string":"K1 Mn1 Bi1 W1 O6\n1.0\n0.000000 -4.068349 -4.068349\n4.068349 0.000000 -4.068349\n4.068349 -4.068349 -0.000000\nK Mn Bi W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n-0.000000 -0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 W\n0.739186 0.260814 0.260814 O\n0.260814 0.739186 0.739186 O\n0.739186 0.260814 0.739186 O\n0.260814 0.739186 0.260814 O\n0.739186 0.739186 0.260814 O\n0.260814 0.260814 0.739186 O\n","nsites":10,"nelements":5,"elements":["K","Mn","Bi","W","O"],"chemical_system":"Bi-K-Mn-O-W","density":7.186602789955612,"density_atomic":0.07425323852765282,"volume":134.67426065565985,"volume_molar":8.110273544173134,"formula_full":"K1 Mn1 Bi1 W1 O6","formula_reduced":"KMnBiWO6","formula_anonymous":"ABCDE6","energy":-75.82084927999999,"energy_per_atom":-7.582084927999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.59284928,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9886104,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.624000Z","spacegroup":216},{"id":"mp-1516530","created_at":"2022-09-04T14:48:10.892644Z","structure_string":"Ba1 Ce1 Eu1 Hf1 O6\n1.0\n0.000000 -4.317909 -4.317909\n4.317909 -0.000000 -4.317909\n4.317909 -4.317909 0.000000\nBa Ce Eu Hf O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n-0.000000 -0.000000 -0.000000 Ce\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Hf\n0.741566 0.258434 0.258434 O\n0.258434 0.741566 0.741566 O\n0.741566 0.258434 0.741566 O\n0.258434 0.741566 0.258434 O\n0.741566 0.741566 0.258434 O\n0.258434 0.258434 0.741566 O\n","nsites":10,"nelements":5,"elements":["Ba","Ce","Eu","Hf","O"],"chemical_system":"Ba-Ce-Eu-Hf-O","density":7.259480431373407,"density_atomic":0.062108286591839125,"volume":161.00911084083867,"volume_molar":9.696195291259723,"formula_full":"Ba1 Ce1 Eu1 Hf1 O6","formula_reduced":"BaCeEuHfO6","formula_anonymous":"ABCDE6","energy":-93.80179404,"energy_per_atom":-9.380179404,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.67979404000002,"band_gap":0.1745999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0000145,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.724000Z","spacegroup":216},{"id":"mp-1043903","created_at":"2022-09-04T14:47:04.513173Z","structure_string":"Ca2 La2 Fe2 Cu2 O12\n1.0\n0.000095 5.524904 0.028956\n0.000355 0.041210 7.615068\n5.531363 0.000093 0.000261\nCa La Fe Cu O\n2 2 2 2 12\ndirect\n0.508780 0.250543 0.543292 Ca\n0.008821 0.750450 0.956683 Ca\n0.993982 0.249427 0.030723 La\n0.494101 0.749509 0.469203 La\n0.499311 0.500464 0.999852 Fe\n0.999278 0.000458 0.500113 Fe\n0.500294 0.999611 0.000876 Cu\n0.000397 0.499636 0.499077 Cu\n0.582288 0.755314 0.016727 O\n0.082134 0.255411 0.483225 O\n0.209636 0.958290 0.217889 O\n0.709641 0.458293 0.282208 O\n0.216999 0.542298 0.211598 O\n0.716970 0.042276 0.288337 O\n0.927927 0.744524 0.520906 O\n0.427824 0.244524 0.979198 O\n0.284356 0.536572 0.722999 O\n0.784295 0.036588 0.777032 O\n0.276429 0.962878 0.717585 O\n0.776530 0.462939 0.782475 O\n","nsites":20,"nelements":5,"elements":["Ca","La","Fe","Cu","O"],"chemical_system":"Ca-Cu-Fe-La-O","density":5.628148634232099,"density_atomic":0.08594322218895206,"volume":232.7117775038575,"volume_molar":7.007115403190156,"formula_full":"Ca2 La2 Fe2 Cu2 O12","formula_reduced":"CaLaFeCuO6","formula_anonymous":"ABCDE6","energy":-144.64332368,"energy_per_atom":-7.232166184,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.88732368,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0041218,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.584000Z","spacegroup":7},{"id":"mp-1518745","created_at":"2022-09-04T14:45:42.215246Z","structure_string":"Sr1 Eu1 Fe1 Bi1 O6\n1.0\n0.000000 -4.119305 -4.119305\n4.119305 0.000000 -4.119305\n4.119305 -4.119305 -0.000000\nSr Eu Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Fe\n-0.000000 -0.000000 0.000000 Bi\n0.742655 0.257345 0.257345 O\n0.257345 0.742655 0.742655 O\n0.742655 0.257345 0.742655 O\n0.257345 0.742655 0.257345 O\n0.742655 0.742655 0.257345 O\n0.257345 0.257345 0.742655 O\n","nsites":10,"nelements":5,"elements":["Sr","Eu","Fe","Bi","O"],"chemical_system":"Bi-Eu-Fe-O-Sr","density":7.131684690637497,"density_atomic":0.07153163589991632,"volume":139.79828469170658,"volume_molar":8.418849484200102,"formula_full":"Sr1 Eu1 Fe1 Bi1 O6","formula_reduced":"SrEuFeBiO6","formula_anonymous":"ABCDE6","energy":-76.18106048,"energy_per_atom":-7.618106048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.80306048,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.5032416,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.191000Z","spacegroup":216},{"id":"mp-1521877","created_at":"2022-09-04T14:47:01.368378Z","structure_string":"Sr1 Nd1 Cr1 Sn1 O6\n1.0\n-0.000000 -4.003440 -4.003440\n4.003440 -0.000000 -4.003440\n4.003440 -4.003440 0.000000\nSr Nd Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Nd\n0.000000 -0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753437 0.246563 0.246563 O\n0.246563 0.753437 0.753437 O\n0.753437 0.246563 0.753437 O\n0.246563 0.753437 0.246563 O\n0.753437 0.753437 0.246563 O\n0.246563 0.246563 0.753437 O\n","nsites":10,"nelements":5,"elements":["Sr","Nd","Cr","Sn","O"],"chemical_system":"Cr-Nd-O-Sn-Sr","density":6.451199629663963,"density_atomic":0.0779237836912215,"volume":128.33052408781518,"volume_molar":7.728244798613936,"formula_full":"Sr1 Nd1 Cr1 Sn1 O6","formula_reduced":"SrNdCrSnO6","formula_anonymous":"ABCDE6","energy":-77.24503618,"energy_per_atom":-7.724503618,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.12403618,"band_gap":2.0901,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.0000006,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.689000Z","spacegroup":216},{"id":"mp-1516357","created_at":"2022-09-04T14:45:42.302109Z","structure_string":"Na1 Li1 Zr1 W1 O6\n1.0\n-0.000000 -4.034496 -4.034496\n4.034496 0.000000 -4.034496\n4.034496 -4.034496 0.000000\nNa Li Zr W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Li\n-0.000000 0.000000 -0.000000 Zr\n0.500000 0.500000 0.500000 W\n0.740522 0.259478 0.259478 O\n0.259478 0.740522 0.740522 O\n0.740522 0.259478 0.740522 O\n0.259478 0.740522 0.259478 O\n0.740522 0.740522 0.259478 O\n0.259478 0.259478 0.740522 O\n","nsites":10,"nelements":5,"elements":["Na","Li","Zr","W","O"],"chemical_system":"Li-Na-O-W-Zr","density":5.069744149675022,"density_atomic":0.07613811783411514,"volume":131.3402574750713,"volume_molar":7.909495179695216,"formula_full":"Na1 Li1 Zr1 W1 O6","formula_reduced":"NaLiZrWO6","formula_anonymous":"ABCDE6","energy":-80.8905475,"energy_per_atom":-8.089054749999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.3305475,"band_gap":2.2652,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.658000Z","spacegroup":216},{"id":"mp-1520540","created_at":"2022-09-04T14:44:49.911949Z","structure_string":"Ba1 Sr1 La1 V1 O6\n1.0\n-0.000000 -4.252429 -4.252429\n4.252429 0.000000 -4.252429\n4.252429 -4.252429 -0.000000\nBa Sr La V 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 La\n0.500000 0.500000 0.500000 V\n0.724576 0.275424 0.275424 O\n0.275424 0.724576 0.724576 O\n0.724576 0.275424 0.724576 O\n0.275424 0.724576 0.275424 O\n0.724576 0.724576 0.275424 O\n0.275424 0.275424 0.724576 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","La","V","O"],"chemical_system":"Ba-La-O-Sr-V","density":5.51506441139066,"density_atomic":0.06502177047178596,"volume":153.79464335470792,"volume_molar":9.261729904160498,"formula_full":"Ba1 Sr1 La1 V1 O6","formula_reduced":"BaSrLaVO6","formula_anonymous":"ABCDE6","energy":-77.92071719,"energy_per_atom":-7.792071719000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.09871719,"band_gap":1.7237999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.053000Z","spacegroup":216},{"id":"mp-1523291","created_at":"2022-09-04T14:45:17.983597Z","structure_string":"K1 La1 Sm1 Sb1 O6\n1.0\n0.000000 -4.241661 -4.241661\n4.241661 0.000000 -4.241661\n4.241661 -4.241661 0.000000\nK La Sm Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Sm\n-0.000000 -0.000000 -0.000000 Sb\n0.765604 0.234396 0.234396 O\n0.234396 0.765604 0.765604 O\n0.765604 0.234396 0.765604 O\n0.234396 0.765604 0.234396 O\n0.765604 0.765604 0.234396 O\n0.234396 0.234396 0.765604 O\n","nsites":10,"nelements":5,"elements":["K","La","Sm","Sb","O"],"chemical_system":"K-La-O-Sb-Sm","density":5.941545814602756,"density_atomic":0.06551822694974212,"volume":152.62928295771533,"volume_molar":9.19155026069231,"formula_full":"K1 La1 Sm1 Sb1 O6","formula_reduced":"KLaSmSbO6","formula_anonymous":"ABCDE6","energy":-72.76662844,"energy_per_atom":-7.2766628440000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.64462844,"band_gap":2.1983,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.796000Z","spacegroup":216},{"id":"mp-1516876","created_at":"2022-09-04T14:46:25.934204Z","structure_string":"Sr1 Ca1 Nb1 V1 O6\n1.0\n0.000000 -3.994303 -3.994303\n3.994303 -0.000000 -3.994303\n3.994303 -3.994303 0.000000\nSr Ca Nb V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.749315 0.250685 0.250685 O\n0.250685 0.749315 0.749315 O\n0.749315 0.250685 0.749315 O\n0.250685 0.749315 0.250685 O\n0.749315 0.749315 0.250685 O\n0.250685 0.250685 0.749315 O\n","nsites":10,"nelements":5,"elements":["Sr","Ca","Nb","V","O"],"chemical_system":"Ca-Nb-O-Sr-V","density":4.788542952785852,"density_atomic":0.07845976170945008,"volume":127.4538665696145,"volume_molar":7.6754512488847695,"formula_full":"Sr1 Ca1 Nb1 V1 O6","formula_reduced":"SrCaNbVO6","formula_anonymous":"ABCDE6","energy":-83.1537372,"energy_per_atom":-8.31537372,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.3317372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.452000Z","spacegroup":216},{"id":"mp-1518832","created_at":"2022-09-04T14:45:40.704389Z","structure_string":"Ba4 Na4 Pr4 Nb4 O24\n1.0\n8.637409 0.000000 0.000000\n0.000000 8.613978 0.000000\n0.000000 0.000000 8.613776\nBa Na Pr Nb O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.000000 0.500000 -0.000000 Na\n0.000000 -0.000000 0.500000 Na\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.750000 Nb\n0.250000 0.750000 0.250000 Nb\n0.750000 0.250000 0.250000 Nb\n0.978056 0.218289 0.294378 O\n0.021944 0.781711 0.294378 O\n0.021944 0.218289 0.705622 O\n0.978056 0.781711 0.705622 O\n0.271925 0.980035 0.209709 O\n0.271925 0.019965 0.790291 O\n0.728075 0.019965 0.209709 O\n0.728075 0.980035 0.790291 O\n0.200070 0.275472 0.977650 O\n0.799930 0.275472 0.022350 O\n0.200070 0.724528 0.022350 O\n0.799930 0.724528 0.977650 O\n0.521944 0.281711 0.205622 O\n0.478056 0.718289 0.205622 O\n0.478056 0.281711 0.794378 O\n0.521944 0.718289 0.794378 O\n0.228075 0.519965 0.290291 O\n0.228075 0.480035 0.709709 O\n0.771925 0.480035 0.290291 O\n0.771925 0.519965 0.709709 O\n0.299930 0.224528 0.522350 O\n0.700070 0.224528 0.477650 O\n0.299930 0.775472 0.477650 O\n0.700070 0.775472 0.522350 O\n","nsites":40,"nelements":5,"elements":["Ba","Na","Pr","Nb","O"],"chemical_system":"Ba-Na-Nb-O-Pr","density":5.079688440646765,"density_atomic":0.06241359153711316,"volume":640.886047652212,"volume_molar":9.648764975204221,"formula_full":"Ba4 Na4 Pr4 Nb4 O24","formula_reduced":"BaNaPrNbO6","formula_anonymous":"ABCDE6","energy":-307.52183345,"energy_per_atom":-7.68804583625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.03383345,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.164000Z","spacegroup":48},{"id":"mp-1523049","created_at":"2022-09-04T14:44:30.821952Z","structure_string":"Ba1 Sr1 Sm1 Sb1 O6\n1.0\n0.000000 -4.283838 -4.283838\n4.283838 0.000000 -4.283838\n4.283838 -4.283838 0.000000\nBa Sr Sm Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Sb\n0.765787 0.234213 0.234213 O\n0.234213 0.765787 0.765787 O\n0.765787 0.234213 0.765787 O\n0.234213 0.765787 0.234213 O\n0.765787 0.765787 0.234213 O\n0.234213 0.234213 0.765787 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Sm","Sb","O"],"chemical_system":"Ba-O-Sb-Sm-Sr","density":6.263558067623833,"density_atomic":0.06360201684120038,"volume":157.2277185009353,"volume_molar":9.468474521862888,"formula_full":"Ba1 Sr1 Sm1 Sb1 O6","formula_reduced":"BaSrSmSbO6","formula_anonymous":"ABCDE6","energy":-72.26726664,"energy_per_atom":-7.226726664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.14526664,"band_gap":3.5020999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.139000Z","spacegroup":216},{"id":"mp-1522448","created_at":"2022-09-04T14:47:04.658256Z","structure_string":"K4 Ca4 La4 W4 O24\n1.0\n8.560840 0.000000 0.000000\n0.000000 8.505566 0.000000\n0.000000 0.000000 8.500069\nK Ca La W O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 -0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.024469 0.198270 0.286598 O\n0.975531 0.801730 0.286598 O\n0.975531 0.198270 0.713402 O\n0.024469 0.801730 0.713402 O\n0.276980 0.024932 0.214048 O\n0.276980 0.975068 0.785952 O\n0.723020 0.975068 0.214048 O\n0.723020 0.024932 0.785952 O\n0.210008 0.275001 0.024861 O\n0.789992 0.275001 0.975139 O\n0.210008 0.724999 0.975139 O\n0.789992 0.724999 0.024861 O\n0.475531 0.301730 0.213402 O\n0.524469 0.698270 0.213402 O\n0.524469 0.301730 0.786598 O\n0.475531 0.698270 0.786598 O\n0.223020 0.475068 0.285952 O\n0.223020 0.524932 0.714048 O\n0.776980 0.524932 0.285952 O\n0.776980 0.475068 0.714048 O\n0.289992 0.224999 0.475139 O\n0.710008 0.224999 0.524861 O\n0.289992 0.775001 0.524861 O\n0.710008 0.775001 0.475139 O\n","nsites":40,"nelements":5,"elements":["K","Ca","La","W","O"],"chemical_system":"Ca-K-La-O-W","density":5.343490151649998,"density_atomic":0.06462758700697846,"volume":618.9307361217249,"volume_molar":9.318220034038609,"formula_full":"K4 Ca4 La4 W4 O24","formula_reduced":"KCaLaWO6","formula_anonymous":"ABCDE6","energy":-316.13831817,"energy_per_atom":-7.903457954249999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-281.89831817,"band_gap":2.8899000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:57.200000Z","spacegroup":48}]}