{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=34","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=32","results":[{"id":"mp-1521491","created_at":"2022-09-04T14:47:46.216501Z","structure_string":"Li1 La1 Hf1 Ti1 O6\n1.0\n0.000000 -3.993828 -3.993828\n3.993828 -0.000000 -3.993828\n3.993828 -3.993828 0.000000\nLi La Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 La\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743807 0.256193 0.256193 O\n0.256193 0.743807 0.743807 O\n0.743807 0.256193 0.743807 O\n0.256193 0.743807 0.256193 O\n0.743807 0.743807 0.256193 O\n0.256193 0.256193 0.743807 O\n","nsites":10,"nelements":5,"elements":["Li","La","Hf","Ti","O"],"chemical_system":"Hf-La-Li-O-Ti","density":6.102142121523586,"density_atomic":0.0784877595246649,"volume":127.4084017757888,"volume_molar":7.672713295004341,"formula_full":"Li1 La1 Hf1 Ti1 O6","formula_reduced":"LiLaHfTiO6","formula_anonymous":"ABCDE6","energy":-89.01309623,"energy_per_atom":-8.901309623,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.89109623000002,"band_gap":2.3844000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.997000Z","spacegroup":216},{"id":"mp-1522588","created_at":"2022-09-04T14:46:53.826823Z","structure_string":"Ba1 Eu1 Cr1 Bi1 O6\n1.0\n0.000000 -4.151960 -4.151960\n4.151960 0.000000 -4.151960\n4.151960 -4.151960 -0.000000\nBa Eu Cr Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Cr\n-0.000000 0.000000 -0.000000 Bi\n0.743698 0.256302 0.256302 O\n0.256302 0.743698 0.743698 O\n0.743698 0.256302 0.743698 O\n0.256302 0.743698 0.256302 O\n0.743698 0.743698 0.256302 O\n0.256302 0.256302 0.743698 O\n","nsites":10,"nelements":5,"elements":["Ba","Eu","Cr","Bi","O"],"chemical_system":"Ba-Bi-Cr-Eu-O","density":7.49668937622399,"density_atomic":0.06985709502452325,"volume":143.14938227089905,"volume_molar":8.620657297424025,"formula_full":"Ba1 Eu1 Cr1 Bi1 O6","formula_reduced":"BaEuCrBiO6","formula_anonymous":"ABCDE6","energy":-78.87767749,"energy_per_atom":-7.887767749,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.75667749,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.8525267,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.143000Z","spacegroup":216},{"id":"mp-1519833","created_at":"2022-09-04T14:46:04.455751Z","structure_string":"Ca1 Eu1 Dy1 Ni1 O6\n1.0\n-0.000000 -3.992722 -3.992722\n3.992722 0.000000 -3.992722\n3.992722 -3.992722 -0.000000\nCa Eu Dy Ni O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Ni\n0.730513 0.269487 0.269487 O\n0.269487 0.730513 0.730513 O\n0.730513 0.269487 0.730513 O\n0.269487 0.730513 0.269487 O\n0.730513 0.730513 0.269487 O\n0.269487 0.269487 0.730513 O\n","nsites":10,"nelements":5,"elements":["Ca","Eu","Dy","Ni","O"],"chemical_system":"Ca-Dy-Eu-Ni-O","density":6.6424363222131655,"density_atomic":0.07855300186580676,"volume":127.30258249179512,"volume_molar":7.666340708771017,"formula_full":"Ca1 Eu1 Dy1 Ni1 O6","formula_reduced":"CaEuDyNiO6","formula_anonymous":"ABCDE6","energy":-77.31872165,"energy_per_atom":-7.731872165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.65572165,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0038378,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.605000Z","spacegroup":216},{"id":"mp-1517193","created_at":"2022-09-04T14:47:46.225138Z","structure_string":"Ba1 Ca1 Pr1 Sb1 O6\n1.0\n0.000000 -4.313211 -4.313211\n4.313211 0.000000 -4.313211\n4.313211 -4.313211 0.000000\nBa Ca Pr Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.731869 0.268131 0.268131 O\n0.268131 0.731869 0.731869 O\n0.731869 0.268131 0.731869 O\n0.268131 0.731869 0.268131 O\n0.731869 0.731869 0.268131 O\n0.268131 0.268131 0.731869 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Pr","Sb","O"],"chemical_system":"Ba-Ca-O-Pr-Sb","density":5.546738905170036,"density_atomic":0.062311454946794076,"volume":160.4841358388872,"volume_molar":9.664580557687396,"formula_full":"Ba1 Ca1 Pr1 Sb1 O6","formula_reduced":"BaCaPrSbO6","formula_anonymous":"ABCDE6","energy":-71.28854257,"energy_per_atom":-7.128854257,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.16654257,"band_gap":3.1894,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.387000Z","spacegroup":216},{"id":"mp-1517794","created_at":"2022-09-04T14:47:13.943588Z","structure_string":"Ba1 Sm1 Cr1 Sn1 O6\n1.0\n-0.000000 -4.043072 -4.043072\n4.043072 -0.000000 -4.043072\n4.043072 -4.043072 -0.000000\nBa Sm Cr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sm\n0.000000 -0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753221 0.246779 0.246779 O\n0.246779 0.753221 0.753221 O\n0.753221 0.246779 0.753221 O\n0.246779 0.753221 0.246779 O\n0.753221 0.753221 0.246779 O\n0.246779 0.246779 0.753221 O\n","nsites":10,"nelements":5,"elements":["Ba","Sm","Cr","Sn","O"],"chemical_system":"Ba-Cr-O-Sm-Sn","density":6.964656020408031,"density_atomic":0.07565464157306892,"volume":132.17959654652225,"volume_molar":7.960041360031669,"formula_full":"Ba1 Sm1 Cr1 Sn1 O6","formula_reduced":"BaSmCrSnO6","formula_anonymous":"ABCDE6","energy":-76.86911968999999,"energy_per_atom":-7.686911968999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.74811969,"band_gap":1.9597,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.213000Z","spacegroup":216},{"id":"mp-1522357","created_at":"2022-09-04T14:46:22.239931Z","structure_string":"Ba1 Sr1 Tb1 Hf1 O6\n1.0\n-0.000000 -4.319526 -4.319526\n4.319526 0.000000 -4.319526\n4.319526 -4.319526 -0.000000\nBa Sr Tb Hf 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 Hf\n0.759676 0.240324 0.240324 O\n0.240324 0.759676 0.759676 O\n0.759676 0.240324 0.759676 O\n0.240324 0.759676 0.240324 O\n0.759676 0.759676 0.240324 O\n0.240324 0.240324 0.759676 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Tb","Hf","O"],"chemical_system":"Ba-Hf-O-Sr-Tb","density":6.782244412625457,"density_atomic":0.06203856261600337,"volume":161.1900659577889,"volume_molar":9.707092663114892,"formula_full":"Ba1 Sr1 Tb1 Hf1 O6","formula_reduced":"BaSrTbHfO6","formula_anonymous":"ABCDE6","energy":-82.1477812,"energy_per_atom":-8.21477812,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.0257812,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.393000Z","spacegroup":216},{"id":"mp-1522372","created_at":"2022-09-04T14:47:46.396606Z","structure_string":"Ba1 Sr1 Dy1 W1 O6\n1.0\n0.000000 -4.232831 -4.232831\n4.232831 0.000000 -4.232831\n4.232831 -4.232831 0.000000\nBa Sr Dy W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.736269 0.263731 0.263731 O\n0.263731 0.736269 0.736269 O\n0.736269 0.263731 0.736269 O\n0.263731 0.736269 0.263731 O\n0.736269 0.736269 0.263731 O\n0.263731 0.263731 0.736269 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Dy","W","O"],"chemical_system":"Ba-Dy-O-Sr-W","density":7.305276112471496,"density_atomic":0.06592911056257673,"volume":151.67806625433664,"volume_molar":9.134266651882214,"formula_full":"Ba1 Sr1 Dy1 W1 O6","formula_reduced":"BaSrDyWO6","formula_anonymous":"ABCDE6","energy":-81.44479517,"energy_per_atom":-8.144479517,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.88479517,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.664000Z","spacegroup":216},{"id":"mp-1518845","created_at":"2022-09-04T14:48:18.934873Z","structure_string":"K1 Sr1 Zr1 Bi1 O6\n1.0\n0.000000 -4.213853 -4.213853\n4.213853 0.000000 -4.213853\n4.213853 -4.213853 0.000000\nK Sr Zr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.748800 0.251200 0.251200 O\n0.251200 0.748800 0.748800 O\n0.748800 0.251200 0.748800 O\n0.251200 0.748800 0.251200 O\n0.748800 0.748800 0.251200 O\n0.251200 0.251200 0.748800 O\n","nsites":10,"nelements":5,"elements":["K","Sr","Zr","Bi","O"],"chemical_system":"Bi-K-O-Sr-Zr","density":5.802504196782705,"density_atomic":0.06682390650024433,"volume":149.6470428582836,"volume_molar":9.011955564103367,"formula_full":"K1 Sr1 Zr1 Bi1 O6","formula_reduced":"KSrZrBiO6","formula_anonymous":"ABCDE6","energy":-70.7059017,"energy_per_atom":-7.07059017,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.5839017,"band_gap":1.0783999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.933000Z","spacegroup":216},{"id":"mp-1516692","created_at":"2022-09-04T14:39:29.671636Z","structure_string":"Ba1 Na1 Nd1 Fe1 O6\n1.0\n0.000000 -4.183206 -4.183206\n4.183206 0.000000 -4.183206\n4.183206 -4.183206 0.000000\nBa Na Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Fe\n0.775668 0.224332 0.224332 O\n0.224332 0.775668 0.775668 O\n0.775668 0.224332 0.775668 O\n0.224332 0.775668 0.224332 O\n0.775668 0.775668 0.224332 O\n0.224332 0.224332 0.775668 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Nd","Fe","O"],"chemical_system":"Ba-Fe-Na-Nd-O","density":5.176511026351102,"density_atomic":0.0683033884635271,"volume":146.40562093548021,"volume_molar":8.816752573286648,"formula_full":"Ba1 Na1 Nd1 Fe1 O6","formula_reduced":"BaNaNdFeO6","formula_anonymous":"ABCDE6","energy":-67.93495404000001,"energy_per_atom":-6.793495404000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.55695404,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999995,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.237000Z","spacegroup":216},{"id":"mp-1519045","created_at":"2022-09-04T14:48:28.662951Z","structure_string":"Na1 Sr1 Pr1 Bi1 O6\n1.0\n-0.000000 -4.418718 -4.418718\n4.418718 -0.000000 -4.418718\n4.418718 -4.418718 0.000000\nNa Sr Pr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n-0.000000 0.000000 0.000000 Bi\n0.761635 0.238365 0.238365 O\n0.238365 0.761635 0.761635 O\n0.761635 0.238365 0.761635 O\n0.238365 0.761635 0.238365 O\n0.761635 0.761635 0.238365 O\n0.238365 0.238365 0.761635 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Pr","Bi","O"],"chemical_system":"Bi-Na-O-Pr-Sr","density":5.3553875062345195,"density_atomic":0.05795369705683831,"volume":172.5515455932425,"volume_molar":10.39129695918064,"formula_full":"Na1 Sr1 Pr1 Bi1 O6","formula_reduced":"NaSrPrBiO6","formula_anonymous":"ABCDE6","energy":-63.40660098,"energy_per_atom":-6.340660098,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.28460098000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:39:42.912000Z","spacegroup":216},{"id":"mp-1518993","created_at":"2022-09-04T14:45:57.762312Z","structure_string":"Sr2 Ca2 Nd2 Sb2 O12\n1.0\n5.819299 0.000000 0.000000\n0.000000 5.819299 -0.000000\n0.000000 -0.000000 8.442571\nSr Ca Nd Sb O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.250000 Nd\n-0.000000 0.500000 0.750000 Nd\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.000000 0.263145 O\n0.500000 0.500000 0.236855 O\n-0.000000 0.000000 0.736855 O\n0.500000 0.500000 0.763145 O\n0.343893 0.193346 0.013437 O\n0.656107 0.806654 0.013437 O\n0.806654 0.343893 0.986563 O\n0.193346 0.656107 0.986563 O\n0.843893 0.306654 0.513437 O\n0.156107 0.693346 0.513437 O\n0.306654 0.156107 0.486563 O\n0.693346 0.843893 0.486563 O\n","nsites":20,"nelements":5,"elements":["Sr","Ca","Nd","Sb","O"],"chemical_system":"Ca-Nd-O-Sb-Sr","density":5.688397521406655,"density_atomic":0.06995422180882736,"volume":285.90125774905334,"volume_molar":8.6086880881292,"formula_full":"Sr2 Ca2 Nd2 Sb2 O12","formula_reduced":"SrCaNdSbO6","formula_anonymous":"ABCDE6","energy":-144.04160505,"energy_per_atom":-7.202080252499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.79760505,"band_gap":3.3892,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.799000Z","spacegroup":118},{"id":"mp-1049277","created_at":"2022-09-04T14:47:45.218975Z","structure_string":"La2 Mg2 Cr2 Sn2 O12\n1.0\n5.619205 0.000000 0.000000\n0.000000 5.445761 0.000000\n0.000000 5.395665 7.885631\nLa Mg Cr Sn O\n2 2 2 2 12\ndirect\n0.291313 0.760300 0.249734 La\n0.708687 0.760300 0.749734 La\n0.806309 0.229334 0.248620 Mg\n0.193691 0.229334 0.748620 Mg\n0.248285 0.999703 0.500528 Cr\n0.751715 0.999703 0.000528 Cr\n0.249156 0.501167 0.997649 Sn\n0.750844 0.501167 0.497649 Sn\n0.811637 0.337482 0.754115 O\n0.028042 0.148487 0.062337 O\n0.037919 0.776025 0.440987 O\n0.562803 0.249741 0.062610 O\n0.558442 0.881749 0.436631 O\n0.282607 0.616010 0.746787 O\n0.188363 0.337482 0.254115 O\n0.971958 0.148487 0.562337 O\n0.962081 0.776025 0.940987 O\n0.437197 0.249741 0.562610 O\n0.441558 0.881749 0.936631 O\n0.717393 0.616010 0.246787 O\n","nsites":20,"nelements":5,"elements":["La","Mg","Cr","Sn","O"],"chemical_system":"Cr-La-Mg-O-Sn","density":5.9168387817971935,"density_atomic":0.08288197495070525,"volume":241.3069911991741,"volume_molar":7.265923336867538,"formula_full":"La2 Mg2 Cr2 Sn2 O12","formula_reduced":"LaMgCrSnO6","formula_anonymous":"ABCDE6","energy":-154.73448315,"energy_per_atom":-7.736724157499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.49248315,"band_gap":2.502299999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0013093,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.137000Z","spacegroup":7}]}