{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=85","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=83","results":[{"id":"mp-1520308","created_at":"2022-09-04T14:45:15.856367Z","structure_string":"Na1 La1 Zr1 Fe1 O6\n1.0\n-0.000000 -4.005650 -4.005650\n4.005650 -0.000000 -4.005650\n4.005650 -4.005650 -0.000000\nNa La Zr Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Fe\n0.758000 0.242000 0.242000 O\n0.242000 0.758000 0.758000 O\n0.758000 0.242000 0.758000 O\n0.242000 0.758000 0.242000 O\n0.758000 0.758000 0.242000 O\n0.242000 0.242000 0.758000 O\n","nsites":10,"nelements":5,"elements":["Na","La","Zr","Fe","O"],"chemical_system":"Fe-La-Na-O-Zr","density":5.231339636836794,"density_atomic":0.07779487834496171,"volume":128.54316650072425,"volume_molar":7.741050424034781,"formula_full":"Na1 La1 Zr1 Fe1 O6","formula_reduced":"NaLaZrFeO6","formula_anonymous":"ABCDE6","energy":-80.19713335,"energy_per_atom":-8.019713335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.81913335,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000008,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.734000Z","spacegroup":216},{"id":"mp-1522839","created_at":"2022-09-04T14:45:22.381076Z","structure_string":"Ca1 Nd1 Hf1 Cr1 O6\n1.0\n-0.000000 -3.990405 -3.990405\n3.990405 -0.000000 -3.990405\n3.990405 -3.990405 0.000000\nCa Nd Hf Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Hf\n0.000000 -0.000000 0.000000 Cr\n0.754369 0.245631 0.245631 O\n0.245631 0.754369 0.754369 O\n0.754369 0.245631 0.754369 O\n0.245631 0.754369 0.245631 O\n0.754369 0.754369 0.245631 O\n0.245631 0.245631 0.754369 O\n","nsites":10,"nelements":5,"elements":["Ca","Nd","Hf","Cr","O"],"chemical_system":"Ca-Cr-Hf-Nd-O","density":6.674537662935457,"density_atomic":0.07868991504154599,"volume":127.08108776989137,"volume_molar":7.653001984842003,"formula_full":"Ca1 Nd1 Hf1 Cr1 O6","formula_reduced":"CaNdHfCrO6","formula_anonymous":"ABCDE6","energy":-89.12170920999999,"energy_per_atom":-8.912170921,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.00070921,"band_gap":2.6485000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.940000Z","spacegroup":216},{"id":"mp-1520089","created_at":"2022-09-04T14:45:18.181483Z","structure_string":"Na1 Eu1 Nb1 Sb1 O6\n1.0\n-0.000000 -4.125188 -4.125188\n4.125188 0.000000 -4.125188\n4.125188 -4.125188 0.000000\nNa Eu Nb Sb 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 Nb\n0.500000 0.500000 0.500000 Sb\n0.756696 0.243304 0.243304 O\n0.243304 0.756696 0.756696 O\n0.756696 0.243304 0.756696 O\n0.243304 0.756696 0.243304 O\n0.756696 0.756696 0.243304 O\n0.243304 0.243304 0.756696 O\n","nsites":10,"nelements":5,"elements":["Na","Eu","Nb","Sb","O"],"chemical_system":"Eu-Na-Nb-O-Sb","density":5.743562392657248,"density_atomic":0.07122603472978864,"volume":140.39810074977726,"volume_molar":8.454971251518202,"formula_full":"Na1 Eu1 Nb1 Sb1 O6","formula_reduced":"NaEuNbSbO6","formula_anonymous":"ABCDE6","energy":-80.71244934999999,"energy_per_atom":-8.071244935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.59044935,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.8878377,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.473000Z","spacegroup":216},{"id":"mp-1517552","created_at":"2022-09-04T14:45:13.967350Z","structure_string":"Sr1 Eu1 Hf1 Sb1 O6\n1.0\n-0.000000 -4.183652 -4.183652\n4.183652 -0.000000 -4.183652\n4.183652 -4.183652 -0.000000\nSr Eu Hf Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sb\n0.753751 0.246249 0.246249 O\n0.246249 0.753751 0.753751 O\n0.753751 0.246249 0.753751 O\n0.246249 0.753751 0.246249 O\n0.753751 0.753751 0.246249 O\n0.246249 0.246249 0.753751 O\n","nsites":10,"nelements":5,"elements":["Sr","Eu","Hf","Sb","O"],"chemical_system":"Eu-Hf-O-Sb-Sr","density":7.20931053995134,"density_atomic":0.06828154625689813,"volume":146.45245382078255,"volume_molar":8.819572915561524,"formula_full":"Sr1 Eu1 Hf1 Sb1 O6","formula_reduced":"SrEuHfSbO6","formula_anonymous":"ABCDE6","energy":-85.55382538,"energy_per_atom":-8.555382538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.43182538000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.6007213,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.417000Z","spacegroup":216},{"id":"mp-1520996","created_at":"2022-09-04T14:45:15.835273Z","structure_string":"Ba2 Ca2 Eu2 W2 O12\n1.0\n5.932092 -0.013351 -0.022178\n-0.016602 5.957327 -0.037455\n-0.034978 -0.056140 8.391167\nBa Ca Eu W O\n2 2 2 2 12\ndirect\n0.503760 0.525356 0.250814 Ba\n0.496240 0.474644 0.749186 Ba\n-0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.994026 0.040116 0.252517 Eu\n0.005974 0.959884 0.747483 Eu\n0.500000 0.000000 0.000000 W\n-0.000000 0.500000 0.500000 W\n0.239423 0.193852 0.954827 O\n0.260017 0.699927 0.528632 O\n0.760577 0.806148 0.045173 O\n0.739983 0.300073 0.471368 O\n0.302564 0.740622 0.961651 O\n0.187401 0.232560 0.541122 O\n0.697436 0.259378 0.038349 O\n0.812599 0.767440 0.458878 O\n0.414362 0.998037 0.226789 O\n0.058376 0.465177 0.271003 O\n0.585638 0.001963 0.773211 O\n0.941624 0.534823 0.728997 O\n","nsites":20,"nelements":5,"elements":["Ba","Ca","Eu","W","O"],"chemical_system":"Ba-Ca-Eu-O-W","density":6.823213689787903,"density_atomic":0.06744909564107882,"volume":296.51991342370667,"volume_molar":8.928423283902875,"formula_full":"Ba2 Ca2 Eu2 W2 O12","formula_reduced":"BaCaEuWO6","formula_anonymous":"ABCDE6","energy":-173.82673486000002,"energy_per_atom":-8.691336743,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.70673486,"band_gap":0.1995000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.194000Z","spacegroup":2},{"id":"mp-1519458","created_at":"2022-09-04T14:45:13.360262Z","structure_string":"Ba1 Sr1 Pr1 Sb1 O6\n1.0\n0.000000 -4.328788 -4.328788\n4.328788 0.000000 -4.328788\n4.328788 -4.328788 0.000000\nBa Sr Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.731791 0.268209 0.268209 O\n0.268209 0.731791 0.731791 O\n0.731791 0.268209 0.731791 O\n0.268209 0.731791 0.268209 O\n0.731791 0.731791 0.268209 O\n0.268209 0.268209 0.731791 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Pr","Sb","O"],"chemical_system":"Ba-O-Pr-Sb-Sr","density":5.973703417676336,"density_atomic":0.06164119553968688,"volume":162.22917015880444,"volume_molar":9.769668980743122,"formula_full":"Ba1 Sr1 Pr1 Sb1 O6","formula_reduced":"BaSrPrSbO6","formula_anonymous":"ABCDE6","energy":-71.74125291,"energy_per_atom":-7.174125291,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.61925291,"band_gap":3.4907,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.086000Z","spacegroup":216},{"id":"mp-1516963","created_at":"2022-09-04T14:45:13.428087Z","structure_string":"Ba1 Na1 Y1 W1 O6\n1.0\n0.000000 -4.206783 -4.206783\n4.206783 -0.000000 -4.206783\n4.206783 -4.206783 0.000000\nBa Na Y W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 W\n0.767546 0.232454 0.232454 O\n0.232454 0.767546 0.767546 O\n0.767546 0.232454 0.767546 O\n0.232454 0.767546 0.232454 O\n0.767546 0.767546 0.232454 O\n0.232454 0.232454 0.767546 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Y","W","O"],"chemical_system":"Ba-Na-O-W-Y","density":5.9002836943415495,"density_atomic":0.06716138965345123,"volume":148.89507277320206,"volume_molar":8.966670867106664,"formula_full":"Ba1 Na1 Y1 W1 O6","formula_reduced":"BaNaYWO6","formula_anonymous":"ABCDE6","energy":-81.54636978,"energy_per_atom":-8.154636978000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.98636978,"band_gap":2.8552,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.624000Z","spacegroup":216},{"id":"mp-1520471","created_at":"2022-09-04T14:43:40.026476Z","structure_string":"Ba1 Sr1 Tb1 Sb1 O6\n1.0\n0.000000 -4.239647 -4.239647\n4.239647 -0.000000 -4.239647\n4.239647 -4.239647 0.000000\nBa Sr Tb Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 -0.000000 Sb\n0.763424 0.236576 0.236576 O\n0.236576 0.763424 0.763424 O\n0.763424 0.236576 0.763424 O\n0.236576 0.763424 0.236576 O\n0.763424 0.763424 0.236576 O\n0.236576 0.236576 0.763424 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Tb","Sb","O"],"chemical_system":"Ba-O-Sb-Sr-Tb","density":6.554787086121979,"density_atomic":0.0656116425588008,"volume":152.41197461316494,"volume_molar":9.178463646300258,"formula_full":"Ba1 Sr1 Tb1 Sb1 O6","formula_reduced":"BaSrTbSbO6","formula_anonymous":"ABCDE6","energy":-72.69288659,"energy_per_atom":-7.269288659,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.57088659,"band_gap":3.501,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.350000Z","spacegroup":216},{"id":"mp-1105240","created_at":"2022-09-04T14:43:23.711231Z","structure_string":"K2 Nd2 Mn2 W2 O12\n1.0\n5.662192 0.000000 -0.055427\n0.000000 5.758181 0.000000\n0.003698 0.000000 8.270383\nK Nd Mn W O\n2 2 2 2 12\ndirect\n0.245325 0.753420 0.001989 K\n0.754675 0.253420 0.998011 K\n0.255129 0.822633 0.500965 Nd\n0.744871 0.322633 0.499035 Nd\n0.747572 0.777952 0.246469 Mn\n0.252428 0.277952 0.753531 Mn\n0.760661 0.769018 0.748851 W\n0.239339 0.269018 0.251149 W\n0.551930 0.033243 0.687849 O\n0.448070 0.533243 0.312151 O\n0.516433 0.065977 0.313374 O\n0.483567 0.565977 0.686626 O\n0.963717 0.459964 0.245739 O\n0.036283 0.959964 0.754261 O\n0.940054 0.483675 0.757770 O\n0.059946 0.983675 0.242230 O\n0.836243 0.740465 0.504690 O\n0.163757 0.240465 0.495310 O\n0.708496 0.777053 0.972056 O\n0.291504 0.277053 0.027944 O\n","nsites":20,"nelements":5,"elements":["K","Nd","Mn","W","O"],"chemical_system":"K-Mn-Nd-O-W","density":6.381277310621236,"density_atomic":0.07417073259792202,"volume":269.6481388207338,"volume_molar":8.119295238252397,"formula_full":"K2 Nd2 Mn2 W2 O12","formula_reduced":"KNdMnWO6","formula_anonymous":"ABCDE6","energy":-168.4389867,"energy_per_atom":-8.421949334999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.9829867,"band_gap":2.6477,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9995739,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.979000Z","spacegroup":4},{"id":"mp-1516392","created_at":"2022-09-04T14:43:38.861142Z","structure_string":"K1 La1 Y1 Sb1 O6\n1.0\n-0.000000 -4.184080 -4.184080\n4.184080 -0.000000 -4.184080\n4.184080 -4.184080 0.000000\nK La Y 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 Y\n-0.000000 -0.000000 -0.000000 Sb\n0.762760 0.237240 0.237240 O\n0.237240 0.762760 0.762760 O\n0.762760 0.237240 0.762760 O\n0.237240 0.762760 0.237240 O\n0.762760 0.762760 0.237240 O\n0.237240 0.237240 0.762760 O\n","nsites":10,"nelements":5,"elements":["K","La","Y","Sb","O"],"chemical_system":"K-La-O-Sb-Y","density":5.493659461628289,"density_atomic":0.06826059433022426,"volume":146.49740597954658,"volume_molar":8.822279997836953,"formula_full":"K1 La1 Y1 Sb1 O6","formula_reduced":"KLaYSbO6","formula_anonymous":"ABCDE6","energy":-75.12644381,"energy_per_atom":-7.512644380999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.00444381,"band_gap":2.4149000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.879000Z","spacegroup":216},{"id":"mp-1520375","created_at":"2022-09-04T14:43:39.771107Z","structure_string":"Ba1 Sr1 Pr1 Ni1 O6\n1.0\n-0.000000 -4.185069 -4.185069\n4.185069 -0.000000 -4.185069\n4.185069 -4.185069 0.000000\nBa Sr Pr Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 -0.000000 0.000000 Ni\n0.775684 0.224316 0.224316 O\n0.224316 0.775684 0.775684 O\n0.775684 0.224316 0.775684 O\n0.224316 0.775684 0.224316 O\n0.775684 0.775684 0.224316 O\n0.224316 0.224316 0.775684 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Pr","Ni","O"],"chemical_system":"Ba-Ni-O-Pr-Sr","density":5.896157203621504,"density_atomic":0.06821221249322186,"volume":146.6013142586994,"volume_molar":8.828537500668828,"formula_full":"Ba1 Sr1 Pr1 Ni1 O6","formula_reduced":"BaSrPrNiO6","formula_anonymous":"ABCDE6","energy":-67.17378341,"energy_per_atom":-6.717378341,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.51078341,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.733000Z","spacegroup":216},{"id":"mp-1521698","created_at":"2022-09-04T14:43:43.861281Z","structure_string":"Ba1 Ca1 Fe1 W1 O6\n1.0\n-0.000000 -4.042058 -4.042058\n4.042058 0.000000 -4.042058\n4.042058 -4.042058 -0.000000\nBa Ca Fe W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 W\n0.744681 0.255319 0.255319 O\n0.255319 0.744681 0.744681 O\n0.744681 0.255319 0.744681 O\n0.255319 0.744681 0.255319 O\n0.744681 0.744681 0.255319 O\n0.255319 0.255319 0.744681 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Fe","W","O"],"chemical_system":"Ba-Ca-Fe-O-W","density":6.450627774288813,"density_atomic":0.07571159255158058,"volume":132.08016979945612,"volume_molar":7.954053741370258,"formula_full":"Ba1 Ca1 Fe1 W1 O6","formula_reduced":"BaCaFeWO6","formula_anonymous":"ABCDE6","energy":-80.02692905,"energy_per_atom":-8.002692905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.21092905,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.766000Z","spacegroup":216}]}