{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=65","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=63","results":[{"id":"mp-1519183","created_at":"2022-09-04T14:42:22.953125Z","structure_string":"K1 Sr1 Ce1 Nb1 O6\n1.0\n0.000000 -4.253130 -4.253130\n4.253130 0.000000 -4.253130\n4.253130 -4.253130 0.000000\nK Sr Ce Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737191 0.262809 0.262809 O\n0.262809 0.737191 0.737191 O\n0.737191 0.262809 0.737191 O\n0.262809 0.737191 0.262809 O\n0.737191 0.737191 0.262809 O\n0.262809 0.262809 0.737191 O\n","nsites":10,"nelements":5,"elements":["K","Sr","Ce","Nb","O"],"chemical_system":"Ce-K-Nb-O-Sr","density":4.91821482837041,"density_atomic":0.06498962514658949,"volume":153.87071363227855,"volume_molar":9.266310963352325,"formula_full":"K1 Sr1 Ce1 Nb1 O6","formula_reduced":"KSrCeNbO6","formula_anonymous":"ABCDE6","energy":-80.54488075,"energy_per_atom":-8.054488075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.42288075,"band_gap":2.0628,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.764000Z","spacegroup":216},{"id":"mp-1521399","created_at":"2022-09-04T14:42:10.584055Z","structure_string":"K1 Gd1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.036550 -4.036550\n4.036550 0.000000 -4.036550\n4.036550 -4.036550 0.000000\nK Gd Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Ti\n0.757927 0.242073 0.242073 O\n0.242073 0.757927 0.757927 O\n0.757927 0.242073 0.757927 O\n0.242073 0.757927 0.242073 O\n0.757927 0.757927 0.242073 O\n0.242073 0.242073 0.757927 O\n","nsites":10,"nelements":5,"elements":["K","Gd","Zr","Ti","O"],"chemical_system":"Gd-K-O-Ti-Zr","density":5.446332749202431,"density_atomic":0.07602194823661859,"volume":131.54095931447276,"volume_molar":7.921581726971881,"formula_full":"K1 Gd1 Zr1 Ti1 O6","formula_reduced":"KGdZrTiO6","formula_anonymous":"ABCDE6","energy":-94.38001746,"energy_per_atom":-9.438001746000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.25801746,"band_gap":0.8262999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.408000Z","spacegroup":216},{"id":"mp-1517829","created_at":"2022-09-04T14:45:42.342999Z","structure_string":"Ba1 Na1 Nd1 Mn1 O6\n1.0\n-0.000000 -4.231177 -4.231177\n4.231177 0.000000 -4.231177\n4.231177 -4.231177 0.000000\nBa Na Nd Mn 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 Mn\n0.773863 0.226137 0.226137 O\n0.226137 0.773863 0.773863 O\n0.773863 0.226137 0.773863 O\n0.226137 0.773863 0.226137 O\n0.773863 0.773863 0.226137 O\n0.226137 0.226137 0.773863 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Nd","Mn","O"],"chemical_system":"Ba-Mn-Na-Nd-O","density":4.992492641836168,"density_atomic":0.06600645739655268,"volume":151.50032882271105,"volume_molar":9.12356305356651,"formula_full":"Ba1 Na1 Nd1 Mn1 O6","formula_reduced":"BaNaNdMnO6","formula_anonymous":"ABCDE6","energy":-69.94983859000001,"energy_per_atom":-6.994983859000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.15983859,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999995,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.797000Z","spacegroup":216},{"id":"mp-1518393","created_at":"2022-09-04T14:46:32.383699Z","structure_string":"Ba4 Ca4 Sn4 W4 O24\n1.0\n8.409062 0.000000 0.000000\n0.000000 8.490067 0.000000\n0.000000 0.000000 8.412622\nBa Ca Sn W O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.750058 0.744952 0.754254 Ca\n0.249942 0.255048 0.754254 Ca\n0.249942 0.744952 0.245747 Ca\n0.750058 0.255048 0.245747 Ca\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.246863 0.255132 0.248266 W\n0.753137 0.744868 0.248266 W\n0.753137 0.255132 0.751734 W\n0.246863 0.744868 0.751734 W\n0.020633 0.214981 0.271546 O\n0.979367 0.785019 0.271546 O\n0.979367 0.214981 0.728454 O\n0.020633 0.785019 0.728454 O\n0.284926 0.026413 0.210361 O\n0.284926 0.973587 0.789639 O\n0.715074 0.973587 0.210361 O\n0.715074 0.026413 0.789639 O\n0.208492 0.290803 0.021056 O\n0.791508 0.290803 0.978944 O\n0.208492 0.709197 0.978944 O\n0.791508 0.709197 0.021056 O\n0.476085 0.294528 0.214823 O\n0.523915 0.705472 0.214823 O\n0.523915 0.294528 0.785177 O\n0.476085 0.705472 0.785177 O\n0.213230 0.479504 0.292331 O\n0.213230 0.520496 0.707669 O\n0.786770 0.520496 0.292331 O\n0.786770 0.479504 0.707669 O\n0.279608 0.223727 0.476364 O\n0.720392 0.223727 0.523636 O\n0.279608 0.776273 0.523636 O\n0.720392 0.776273 0.476364 O\n","nsites":40,"nelements":5,"elements":["Ba","Ca","Sn","W","O"],"chemical_system":"Ba-Ca-O-Sn-W","density":6.369493218753886,"density_atomic":0.06659934283770658,"volume":600.606526966407,"volume_molar":9.042342616916098,"formula_full":"Ba4 Ca4 Sn4 W4 O24","formula_reduced":"BaCaSnWO6","formula_anonymous":"ABCDE6","energy":-305.2676283,"energy_per_atom":-7.631690707500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.0276283,"band_gap":2.1807000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.848000Z","spacegroup":16},{"id":"mp-1520128","created_at":"2022-09-04T14:43:09.060467Z","structure_string":"Ba1 Sr1 Nb1 Sb1 O6\n1.0\n0.000000 -4.277323 -4.277323\n4.277323 0.000000 -4.277323\n4.277323 -4.277323 0.000000\nBa Sr Nb Sb 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 Nb\n0.500000 0.500000 0.500000 Sb\n0.764270 0.235730 0.235730 O\n0.235730 0.764270 0.764270 O\n0.764270 0.235730 0.764270 O\n0.235730 0.764270 0.235730 O\n0.764270 0.764270 0.235730 O\n0.235730 0.235730 0.764270 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Nb","Sb","O"],"chemical_system":"Ba-Nb-O-Sb-Sr","density":5.682657208286656,"density_atomic":0.06389308576657654,"volume":156.5114578521602,"volume_molar":9.42534029738516,"formula_full":"Ba1 Sr1 Nb1 Sb1 O6","formula_reduced":"BaSrNbSbO6","formula_anonymous":"ABCDE6","energy":-75.25745799,"energy_per_atom":-7.525745799000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.13545799,"band_gap":1.0567000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.117000Z","spacegroup":216},{"id":"mp-1521662","created_at":"2022-09-04T14:39:12.390939Z","structure_string":"Ca1 Nb1 Fe1 Sn1 O6\n1.0\n0.000000 -4.002705 -4.002705\n4.002705 0.000000 -4.002705\n4.002705 -4.002705 0.000000\nCa Nb Fe Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Sn\n0.749866 0.250134 0.250134 O\n0.250134 0.749866 0.749866 O\n0.749866 0.250134 0.749866 O\n0.250134 0.749866 0.250134 O\n0.749866 0.749866 0.250134 O\n0.250134 0.250134 0.749866 O\n","nsites":10,"nelements":5,"elements":["Ca","Nb","Fe","Sn","O"],"chemical_system":"Ca-Fe-Nb-O-Sn","density":5.22444785295051,"density_atomic":0.07796671803085337,"volume":128.25985564818507,"volume_molar":7.723989045706515,"formula_full":"Ca1 Nb1 Fe1 Sn1 O6","formula_reduced":"CaNbFeSnO6","formula_anonymous":"ABCDE6","energy":-78.28133875,"energy_per_atom":-7.828133875000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.90333875,"band_gap":1.8048999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0000009,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.620000Z","spacegroup":216},{"id":"mp-1516907","created_at":"2022-09-04T14:42:20.988621Z","structure_string":"K1 Eu1 Bi1 Sb1 O6\n1.0\n-0.000000 -4.220860 -4.220860\n4.220860 0.000000 -4.220860\n4.220860 -4.220860 -0.000000\nK Eu Bi Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 -0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n0.736921 0.263079 0.263079 O\n0.263079 0.736921 0.736921 O\n0.736921 0.263079 0.736921 O\n0.263079 0.736921 0.263079 O\n0.736921 0.736921 0.263079 O\n0.263079 0.263079 0.736921 O\n","nsites":10,"nelements":5,"elements":["K","Eu","Bi","Sb","O"],"chemical_system":"Bi-Eu-K-O-Sb","density":6.821243150974053,"density_atomic":0.06649165793143359,"volume":150.39480607194412,"volume_molar":9.056986917381503,"formula_full":"K1 Eu1 Bi1 Sb1 O6","formula_reduced":"KEuBiSbO6","formula_anonymous":"ABCDE6","energy":-69.83035286,"energy_per_atom":-6.983035286000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.70835286,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.4024315,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.713000Z","spacegroup":216},{"id":"mp-1517687","created_at":"2022-09-04T14:43:59.944304Z","structure_string":"Ba2 Sr2 Ce2 W2 O12\n1.0\n6.039510 -0.000033 -0.010774\n-0.004586 6.068843 -0.000953\n-0.020995 -0.006818 8.511938\nBa Sr Ce W O\n2 2 2 2 12\ndirect\n0.507370 0.525908 0.249697 Ba\n0.492630 0.474092 0.750303 Ba\n0.992465 0.035138 0.250914 Sr\n0.007535 0.964862 0.749086 Sr\n-0.000000 0.500000 -0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.000000 -0.000000 W\n-0.000000 0.500000 0.500000 W\n0.218341 0.208704 0.960529 O\n0.273077 0.719027 0.532295 O\n0.781659 0.791296 0.039471 O\n0.726923 0.280973 0.467705 O\n0.290687 0.734713 0.965166 O\n0.198373 0.225586 0.538697 O\n0.709313 0.265287 0.034834 O\n0.801627 0.774414 0.461303 O\n0.420479 0.997223 0.237080 O\n0.058579 0.472531 0.262255 O\n0.579521 0.002777 0.762920 O\n0.941421 0.527469 0.737745 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","Ce","W","O"],"chemical_system":"Ba-Ce-O-Sr-W","density":6.864943623043152,"density_atomic":0.0641055904559952,"volume":311.98527082796073,"volume_molar":9.394096079863505,"formula_full":"Ba2 Sr2 Ce2 W2 O12","formula_reduced":"BaSrCeWO6","formula_anonymous":"ABCDE6","energy":-166.19367830000002,"energy_per_atom":-8.309683915,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.0736783,"band_gap":0.6247999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.912000Z","spacegroup":2},{"id":"mp-1048863","created_at":"2022-09-04T14:44:58.564662Z","structure_string":"Ca2 La2 Cr2 Mo2 O12\n1.0\n5.537642 0.010345 -0.004414\n0.010705 5.739007 0.002249\n-0.017400 0.003121 7.851949\nCa La Cr Mo O\n2 2 2 2 12\ndirect\n0.486136 0.452067 0.750725 Ca\n0.984886 0.048398 0.250729 Ca\n0.013772 0.958177 0.750119 La\n0.512631 0.541399 0.250190 La\n0.000343 0.500522 0.998880 Cr\n0.500649 0.999261 0.499237 Cr\n0.999937 0.497855 0.500522 Mo\n0.499580 0.002159 0.000900 Mo\n0.087553 0.468199 0.249244 O\n0.588300 0.032617 0.749539 O\n0.208057 0.215059 0.953216 O\n0.707499 0.284044 0.452884 O\n0.211222 0.201660 0.545956 O\n0.712293 0.298501 0.045774 O\n0.291917 0.701355 0.952554 O\n0.793547 0.798462 0.452718 O\n0.295957 0.708744 0.548930 O\n0.795442 0.792448 0.048075 O\n0.405016 0.970256 0.250139 O\n0.905259 0.528817 0.749668 O\n","nsites":20,"nelements":5,"elements":["Ca","La","Cr","Mo","O"],"chemical_system":"Ca-Cr-La-Mo-O","density":5.628548684779262,"density_atomic":0.08014810239009723,"volume":249.53803525697842,"volume_molar":7.5137658664568345,"formula_full":"Ca2 La2 Cr2 Mo2 O12","formula_reduced":"CaLaCrMoO6","formula_anonymous":"ABCDE6","energy":-172.13592985000002,"energy_per_atom":-8.606796492500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.48992985,"band_gap":1.5053,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.24e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.460000Z","spacegroup":7},{"id":"mp-1518469","created_at":"2022-09-04T14:44:57.739981Z","structure_string":"Sr1 Tb1 Eu1 W1 O6\n1.0\n-0.000000 -4.210628 -4.210628\n4.210628 0.000000 -4.210628\n4.210628 -4.210628 -0.000000\nSr Tb Eu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 -0.000000 Tb\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 W\n0.736426 0.263574 0.263574 O\n0.263574 0.736426 0.736426 O\n0.736426 0.263574 0.736426 O\n0.263574 0.736426 0.263574 O\n0.736426 0.736426 0.263574 O\n0.263574 0.263574 0.736426 O\n","nsites":10,"nelements":5,"elements":["Sr","Tb","Eu","W","O"],"chemical_system":"Eu-O-Sr-Tb-W","density":7.544484798588605,"density_atomic":0.06697756923291967,"volume":149.30371637143514,"volume_molar":8.991279959798987,"formula_full":"Sr1 Tb1 Eu1 W1 O6","formula_reduced":"SrTbEuWO6","formula_anonymous":"ABCDE6","energy":-89.21732051999999,"energy_per_atom":-8.921732052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.65732052,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.185000Z","spacegroup":216},{"id":"mp-1518932","created_at":"2022-09-04T14:46:05.183182Z","structure_string":"Sr4 Ca4 La4 Bi4 O24\n1.0\n8.496135 0.000000 0.000000\n0.000000 8.541829 0.000000\n0.000000 0.000000 8.555839\nSr Ca La Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.250000 Ca\n0.750000 0.250000 0.750000 Ca\n0.250000 0.750000 0.750000 Ca\n0.000000 0.500000 0.500000 La\n0.500000 -0.000000 0.000000 La\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.989872 0.195921 0.284195 O\n0.010128 0.804079 0.284195 O\n0.010128 0.195921 0.715805 O\n0.989872 0.804079 0.715805 O\n0.290615 0.990948 0.187722 O\n0.290615 0.009052 0.812278 O\n0.709385 0.009052 0.187722 O\n0.709385 0.990948 0.812278 O\n0.196795 0.281358 0.989119 O\n0.803205 0.281358 0.010881 O\n0.196795 0.718642 0.010881 O\n0.803205 0.718642 0.989119 O\n0.510128 0.304079 0.215805 O\n0.489872 0.695921 0.215805 O\n0.489872 0.304079 0.784195 O\n0.510128 0.695921 0.784195 O\n0.209385 0.509052 0.312278 O\n0.209385 0.490948 0.687722 O\n0.790615 0.490948 0.312278 O\n0.790615 0.509052 0.687722 O\n0.303205 0.218642 0.510881 O\n0.696795 0.218642 0.489119 O\n0.303205 0.781358 0.489119 O\n0.696795 0.781358 0.510881 O\n","nsites":40,"nelements":5,"elements":["Sr","Ca","La","Bi","O"],"chemical_system":"Bi-Ca-La-O-Sr","density":6.114366074503108,"density_atomic":0.06442065113890497,"volume":620.9189024456036,"volume_molar":9.348152577680333,"formula_full":"Sr4 Ca4 La4 Bi4 O24","formula_reduced":"SrCaLaBiO6","formula_anonymous":"ABCDE6","energy":-278.62690187,"energy_per_atom":-6.96567254675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.13890187,"band_gap":2.1151,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.079000Z","spacegroup":48},{"id":"mp-1519650","created_at":"2022-09-04T14:42:10.265359Z","structure_string":"Ba1 Pr1 Eu1 W1 O6\n1.0\n0.000000 -4.329289 -4.329289\n4.329289 -0.000000 -4.329289\n4.329289 -4.329289 0.000000\nBa Pr Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n-0.000000 -0.000000 -0.000000 Pr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.730316 0.269684 0.269684 O\n0.269684 0.730316 0.730316 O\n0.730316 0.269684 0.730316 O\n0.269684 0.730316 0.269684 O\n0.730316 0.730316 0.269684 O\n0.269684 0.269684 0.730316 O\n","nsites":10,"nelements":5,"elements":["Ba","Pr","Eu","W","O"],"chemical_system":"Ba-Eu-O-Pr-W","density":7.265226454340521,"density_atomic":0.06161979803170866,"volume":162.28550432531674,"volume_molar":9.773061503546462,"formula_full":"Ba1 Pr1 Eu1 W1 O6","formula_reduced":"BaPrEuWO6","formula_anonymous":"ABCDE6","energy":-88.59146695,"energy_per_atom":-8.859146695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.03146695,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.746000Z","spacegroup":216}]}