{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=41","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=39","results":[{"id":"mp-1522497","created_at":"2022-09-04T14:46:53.678779Z","structure_string":"K1 Hf1 Mn1 Sb1 O6\n1.0\n0.000000 -4.040979 -4.040979\n4.040979 -0.000000 -4.040979\n4.040979 -4.040979 0.000000\nK Hf Mn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n-0.000000 -0.000000 0.000000 Hf\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Sb\n0.745507 0.254493 0.254493 O\n0.254493 0.745507 0.745507 O\n0.745507 0.254493 0.745507 O\n0.254493 0.745507 0.254493 O\n0.745507 0.745507 0.254493 O\n0.254493 0.254493 0.745507 O\n","nsites":10,"nelements":5,"elements":["K","Hf","Mn","Sb","O"],"chemical_system":"Hf-K-Mn-O-Sb","density":6.168874431474906,"density_atomic":0.07577225702680003,"volume":131.97442431288647,"volume_molar":7.9476855993216855,"formula_full":"K1 Hf1 Mn1 Sb1 O6","formula_reduced":"KHfMnSbO6","formula_anonymous":"ABCDE6","energy":-78.35178143,"energy_per_atom":-7.835178143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.56178143,"band_gap":0.8812000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.9999996,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.573000Z","spacegroup":216},{"id":"mp-1516726","created_at":"2022-09-04T14:46:11.474244Z","structure_string":"Ba1 Sr1 Dy1 Bi1 O6\n1.0\n0.000000 -4.326930 -4.326930\n4.326930 0.000000 -4.326930\n4.326930 -4.326930 0.000000\nBa Sr Dy Bi 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 Dy\n0.000000 0.000000 0.000000 Bi\n0.755525 0.244475 0.244475 O\n0.244475 0.755525 0.755525 O\n0.755525 0.244475 0.755525 O\n0.244475 0.755525 0.244475 O\n0.755525 0.755525 0.244475 O\n0.244475 0.244475 0.755525 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Dy","Bi","O"],"chemical_system":"Ba-Bi-Dy-O-Sr","density":7.096618855246513,"density_atomic":0.06172063652510716,"volume":162.0203640630331,"volume_molar":9.75709438374031,"formula_full":"Ba1 Sr1 Dy1 Bi1 O6","formula_reduced":"BaSrDyBiO6","formula_anonymous":"ABCDE6","energy":-69.69960787,"energy_per_atom":-6.969960787,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.57760787,"band_gap":1.856,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:24.177000Z","spacegroup":216},{"id":"mp-1518772","created_at":"2022-09-04T14:45:58.762997Z","structure_string":"Na1 La1 Dy1 Fe1 O6\n1.0\n0.000000 -4.026834 -4.026834\n4.026834 0.000000 -4.026834\n4.026834 -4.026834 0.000000\nNa La Dy Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.731070 0.268930 0.268930 O\n0.268930 0.731070 0.731070 O\n0.731070 0.268930 0.731070 O\n0.268930 0.731070 0.268930 O\n0.731070 0.731070 0.268930 O\n0.268930 0.268930 0.731070 O\n","nsites":10,"nelements":5,"elements":["Na","La","Dy","Fe","O"],"chemical_system":"Dy-Fe-La-Na-O","density":6.055510005338569,"density_atomic":0.07657355740934262,"volume":130.5933841697149,"volume_molar":7.864517417947789,"formula_full":"Na1 La1 Dy1 Fe1 O6","formula_reduced":"NaLaDyFeO6","formula_anonymous":"ABCDE6","energy":-74.2307438,"energy_per_atom":-7.42307438,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.8527438,"band_gap":0.3405,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000008,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.186000Z","spacegroup":216},{"id":"mp-1518769","created_at":"2022-09-04T14:45:30.964586Z","structure_string":"Sr1 La1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.153957 -4.153957\n4.153957 -0.000000 -4.153957\n4.153957 -4.153957 0.000000\nSr La Fe Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Bi\n0.738056 0.261944 0.261944 O\n0.261944 0.738056 0.738056 O\n0.738056 0.261944 0.738056 O\n0.261944 0.738056 0.261944 O\n0.738056 0.738056 0.261944 O\n0.261944 0.261944 0.738056 O\n","nsites":10,"nelements":5,"elements":["Sr","La","Fe","Bi","O"],"chemical_system":"Bi-Fe-La-O-Sr","density":6.803432283926836,"density_atomic":0.06975639280505122,"volume":143.35603659935634,"volume_molar":8.633102311970356,"formula_full":"Sr1 La1 Fe1 Bi1 O6","formula_reduced":"SrLaFeBiO6","formula_anonymous":"ABCDE6","energy":-72.10613991,"energy_per_atom":-7.210613991,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.72813991,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.1312078,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.710000Z","spacegroup":216},{"id":"mp-1521310","created_at":"2022-09-04T14:43:53.826886Z","structure_string":"Ca2 Dy2 Mn2 Sn2 O12\n1.0\n5.484030 0.088262 -0.218982\n0.087559 5.531740 0.063301\n-0.350123 0.078065 8.607127\nCa Dy Mn Sn O\n2 2 2 2 12\ndirect\n0.000000 0.500000 -0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.976545 0.058470 0.274068 Dy\n0.023455 0.941530 0.725932 Dy\n0.500000 -0.000000 -0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.514427 0.552702 0.222484 Sn\n0.485573 0.447298 0.777516 Sn\n0.236888 0.202502 0.890392 O\n0.287352 0.651701 0.603618 O\n0.763112 0.797498 0.109608 O\n0.712648 0.348299 0.396381 O\n0.331650 0.709703 0.924822 O\n0.145333 0.189113 0.544729 O\n0.668350 0.290297 0.075178 O\n0.854667 0.810887 0.455271 O\n0.352163 0.890404 0.246133 O\n0.187736 0.401232 0.238527 O\n0.647837 0.109596 0.753867 O\n0.812264 0.598768 0.761473 O\n","nsites":20,"nelements":5,"elements":["Ca","Dy","Mn","Sn","O"],"chemical_system":"Ca-Dy-Mn-O-Sn","density":6.018297868073292,"density_atomic":0.07674992430669003,"volume":260.58657621707476,"volume_molar":7.846445210728463,"formula_full":"Ca2 Dy2 Mn2 Sn2 O12","formula_reduced":"CaDyMnSnO6","formula_anonymous":"ABCDE6","energy":-153.74768957,"energy_per_atom":-7.6873844785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.16768957,"band_gap":1.6328,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000006,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.979000Z","spacegroup":2},{"id":"mp-1521429","created_at":"2022-09-04T14:47:13.046347Z","structure_string":"Ba1 Na1 Eu1 Se1 O6\n1.0\n0.000000 -4.131592 -4.131592\n4.131592 0.000000 -4.131592\n4.131592 -4.131592 0.000000\nBa Na Eu Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n-0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Se\n0.722036 0.277964 0.277964 O\n0.277964 0.722036 0.722036 O\n0.722036 0.277964 0.722036 O\n0.277964 0.722036 0.277964 O\n0.722036 0.722036 0.277964 O\n0.277964 0.277964 0.722036 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Eu","Se","O"],"chemical_system":"Ba-Eu-Na-O-Se","density":5.735974734490079,"density_atomic":0.07089534509422754,"volume":141.0529843208877,"volume_molar":8.494409261984586,"formula_full":"Ba1 Na1 Eu1 Se1 O6","formula_reduced":"BaNaEuSeO6","formula_anonymous":"ABCDE6","energy":-68.77954404,"energy_per_atom":-6.8779544040000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.65754404,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.863000Z","spacegroup":216},{"id":"mp-1522610","created_at":"2022-09-04T14:47:56.300598Z","structure_string":"K1 Pr1 Mn1 W1 O6\n1.0\n0.000000 -4.063108 -4.063108\n4.063108 0.000000 -4.063108\n4.063108 -4.063108 -0.000000\nK Pr Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.738753 0.261247 0.261247 O\n0.261247 0.738753 0.738753 O\n0.738753 0.261247 0.738753 O\n0.261247 0.738753 0.261247 O\n0.738753 0.738753 0.261247 O\n0.261247 0.261247 0.738753 O\n","nsites":10,"nelements":5,"elements":["K","Pr","Mn","W","O"],"chemical_system":"K-Mn-O-Pr-W","density":6.371856722207197,"density_atomic":0.07454094691571263,"volume":134.1544535422595,"volume_molar":8.078970028123672,"formula_full":"K1 Pr1 Mn1 W1 O6","formula_reduced":"KPrMnWO6","formula_anonymous":"ABCDE6","energy":-82.84600995999998,"energy_per_atom":-8.284600995999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.61800996,"band_gap":1.3222999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9999997,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.313000Z","spacegroup":216},{"id":"mp-1517136","created_at":"2022-09-04T14:44:06.259137Z","structure_string":"Ba1 Ca1 Ni1 Bi1 O6\n1.0\n0.000000 -4.109716 -4.109716\n4.109716 0.000000 -4.109716\n4.109716 -4.109716 -0.000000\nBa Ca Ni Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.000000 -0.000000 Bi\n0.743910 0.256090 0.256090 O\n0.256090 0.743910 0.743910 O\n0.743910 0.256090 0.743910 O\n0.256090 0.743910 0.256090 O\n0.743910 0.743910 0.256090 O\n0.256090 0.256090 0.743910 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Ni","Bi","O"],"chemical_system":"Ba-Bi-Ca-Ni-O","density":6.47204155163475,"density_atomic":0.07203350891333106,"volume":138.82427985053113,"volume_molar":8.360193541655303,"formula_full":"Ba1 Ca1 Ni1 Bi1 O6","formula_reduced":"BaCaNiBiO6","formula_anonymous":"ABCDE6","energy":-62.18458478,"energy_per_atom":-6.2184584780000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.52158478,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.809000Z","spacegroup":216},{"id":"mp-1518972","created_at":"2022-09-04T14:43:59.357536Z","structure_string":"Eu1 Hf1 Zr1 Sn1 O6\n1.0\n-0.000000 -4.186462 -4.186462\n4.186462 -0.000000 -4.186462\n4.186462 -4.186462 0.000000\nEu Hf Zr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Sn\n0.751805 0.248195 0.248195 O\n0.248195 0.751805 0.751805 O\n0.751805 0.248195 0.751805 O\n0.248195 0.751805 0.248195 O\n0.751805 0.751805 0.248195 O\n0.248195 0.248195 0.751805 O\n","nsites":10,"nelements":5,"elements":["Eu","Hf","Zr","Sn","O"],"chemical_system":"Eu-Hf-O-Sn-Zr","density":7.2010722158735225,"density_atomic":0.0681441445169017,"volume":146.74775170916868,"volume_molar":8.837356170061446,"formula_full":"Eu1 Hf1 Zr1 Sn1 O6","formula_reduced":"EuHfZrSnO6","formula_anonymous":"ABCDE6","energy":-94.48041704000002,"energy_per_atom":-9.448041704000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.35841704,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.732000Z","spacegroup":216},{"id":"mp-1519654","created_at":"2022-09-04T14:48:17.616680Z","structure_string":"Ba1 Ca1 Eu1 Fe1 O6\n1.0\n0.000000 -4.099661 -4.099661\n4.099661 0.000000 -4.099661\n4.099661 -4.099661 0.000000\nBa Ca Eu Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n-0.000000 0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Fe\n0.728396 0.271604 0.271604 O\n0.271604 0.728396 0.728396 O\n0.728396 0.271604 0.728396 O\n0.271604 0.728396 0.271604 O\n0.728396 0.728396 0.271604 O\n0.271604 0.271604 0.728396 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Eu","Fe","O"],"chemical_system":"Ba-Ca-Eu-Fe-O","density":5.798427977280528,"density_atomic":0.0725648271067555,"volume":137.8078112869787,"volume_molar":8.298980373977026,"formula_full":"Ba1 Ca1 Eu1 Fe1 O6","formula_reduced":"BaCaEuFeO6","formula_anonymous":"ABCDE6","energy":-76.43068258,"energy_per_atom":-7.643068258,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.05268258,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.000002,"is_theoretical":true,"updated_at":"2021-11-28T01:38:53.887000Z","spacegroup":216},{"id":"mp-1340495","created_at":"2022-09-04T14:45:58.623180Z","structure_string":"La2 Ti2 Zn2 Fe2 O12\n1.0\n5.716979 0.000000 0.000000\n0.000000 5.401736 0.000000\n0.000000 5.380221 7.725243\nLa Ti Zn Fe O\n2 2 2 2 12\ndirect\n0.303833 0.235071 0.749403 La\n0.696167 0.235071 0.249403 La\n0.783673 0.495499 0.500036 Ti\n0.216327 0.495499 0.000036 Ti\n0.663198 0.735648 0.749071 Zn\n0.336802 0.735648 0.249071 Zn\n0.766856 0.997417 0.995788 Fe\n0.233144 0.997417 0.495788 Fe\n0.275748 0.377608 0.247239 O\n0.443967 0.149653 0.053099 O\n0.441308 0.751325 0.447347 O\n0.558692 0.751325 0.947347 O\n0.556033 0.149653 0.553099 O\n0.724252 0.377608 0.747239 O\n0.746964 0.670951 0.255475 O\n0.950110 0.834660 0.457480 O\n0.963610 0.252168 0.045062 O\n0.036390 0.252168 0.545062 O\n0.049890 0.834660 0.957480 O\n0.253036 0.670951 0.755475 O\n","nsites":20,"nelements":5,"elements":["La","Ti","Zn","Fe","O"],"chemical_system":"Fe-La-O-Ti-Zn","density":5.624357803973788,"density_atomic":0.08383355722372751,"volume":238.56795133511736,"volume_molar":7.183448918824534,"formula_full":"La2 Ti2 Zn2 Fe2 O12","formula_reduced":"LaTiZnFeO6","formula_anonymous":"ABCDE6","energy":-159.98457088,"energy_per_atom":-7.999228544,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.22857088,"band_gap":2.3253,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9999402,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.385000Z","spacegroup":7},{"id":"mp-1518619","created_at":"2022-09-04T14:45:30.322669Z","structure_string":"Ba2 Sr2 Eu2 W2 O12\n1.0\n6.040009 0.013482 -0.017789\n0.004600 6.102743 0.028187\n-0.039747 0.024729 8.579883\nBa Sr Eu W O\n2 2 2 2 12\ndirect\n0.996421 0.029085 0.249767 Ba\n0.003579 0.970915 0.750233 Ba\n0.508393 0.541145 0.249399 Sr\n0.491607 0.458855 0.750601 Sr\n-0.000000 0.500000 -0.000000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 -0.000000 W\n-0.000000 0.500000 0.500000 W\n0.236888 0.189654 0.972031 O\n0.259276 0.689966 0.544811 O\n0.763112 0.810346 0.027969 O\n0.740724 0.310034 0.455189 O\n0.317358 0.737092 0.954614 O\n0.188908 0.240192 0.542485 O\n0.682642 0.262908 0.045386 O\n0.811092 0.759808 0.457515 O\n0.435277 0.962476 0.224715 O\n0.085273 0.492092 0.276788 O\n0.564723 0.037524 0.775285 O\n0.914727 0.507908 0.723212 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","Eu","W","O"],"chemical_system":"Ba-Eu-O-Sr-W","density":6.896772238104591,"density_atomic":0.06324095568841098,"volume":316.2507552627804,"volume_molar":9.522532818243873,"formula_full":"Ba2 Sr2 Eu2 W2 O12","formula_reduced":"BaSrEuWO6","formula_anonymous":"ABCDE6","energy":-161.69411611,"energy_per_atom":-8.0847058055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.57411611,"band_gap":0.0072,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0134458,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.899000Z","spacegroup":2}]}