{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=10118","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=10116","results":[{"id":"mp-1520998","created_at":"2022-09-04T14:46:28.368296Z","structure_string":"Sr1 Ca1 Zr1 Ti1 O6\n1.0\n0.000000 -4.047436 -4.047436\n4.047436 0.000000 -4.047436\n4.047436 -4.047436 0.000000\nSr Ca Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.757859 0.242141 0.242141 O\n0.242141 0.757859 0.757859 O\n0.757859 0.242141 0.757859 O\n0.242141 0.757859 0.242141 O\n0.757859 0.757859 0.242141 O\n0.242141 0.242141 0.757859 O\n","nsites":10,"nelements":5,"elements":["Sr","Ca","Zr","Ti","O"],"chemical_system":"Ca-O-Sr-Ti-Zr","density":4.542855596041015,"density_atomic":0.07541018977380821,"volume":132.60807365682086,"volume_molar":7.985844854738232,"formula_full":"Sr1 Ca1 Zr1 Ti1 O6","formula_reduced":"SrCaZrTiO6","formula_anonymous":"ABCDE6","energy":-85.09468204,"energy_per_atom":-8.509468204,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.97268204,"band_gap":2.3639999999999994,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.862000Z","spacegroup":216},{"id":"mp-755586","created_at":"2022-09-04T14:43:39.677917Z","structure_string":"Na2 La2 O4\n1.0\n-2.412458 2.412458 5.696116\n2.412458 -2.412458 5.696116\n2.412458 2.412458 -5.696116\nNa La O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500000 La\n0.217210 0.217210 0.000000 O\n0.532790 0.032790 0.500000 O\n0.967210 0.467210 0.500000 O\n0.782790 0.782790 0.000000 O\n","nsites":8,"nelements":3,"elements":["Na","La","O"],"chemical_system":"La-Na-O","density":4.856073065105994,"density_atomic":0.06032976703690863,"volume":132.6045233210622,"volume_molar":9.98203881065174,"formula_full":"Na2 La2 O4","formula_reduced":"NaLaO2","formula_anonymous":"ABC2","energy":-56.63387955,"energy_per_atom":-7.07923494375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.88587955,"band_gap":3.2411000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001104,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.339000Z","spacegroup":141},{"id":"mp-1101159","created_at":"2022-09-04T14:45:09.245898Z","structure_string":"Zr4 N4 O2\n1.0\n2.809557 4.768967 0.000000\n-2.809557 4.768967 0.000000\n0.000000 3.262420 4.948297\nZr N O\n4 4 2\ndirect\n0.865652 0.330097 0.425920 Zr\n0.330097 0.865652 0.925920 Zr\n0.627293 0.149360 0.073992 Zr\n0.149360 0.627293 0.573992 Zr\n0.052303 0.959294 0.735366 N\n0.959294 0.052303 0.235366 N\n0.255627 0.454515 0.253283 N\n0.454515 0.255627 0.753283 N\n0.557413 0.748446 0.261440 O\n0.748446 0.557413 0.761440 O\n","nsites":10,"nelements":3,"elements":["Zr","N","O"],"chemical_system":"N-O-Zr","density":5.671843140711644,"density_atomic":0.07541401817402794,"volume":132.60134179462048,"volume_molar":7.9854394525207555,"formula_full":"Zr4 N4 O2","formula_reduced":"Zr2N2O","formula_anonymous":"AB2C2","energy":-100.0316785,"energy_per_atom":-10.00316785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.2136785,"band_gap":2.0306,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001167,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.180000Z","spacegroup":9},{"id":"mp-1218299","created_at":"2022-09-04T14:44:14.372390Z","structure_string":"Sr1 Eu1 P2 Pt2\n1.0\n2.075793 -3.595379 0.000000\n2.075793 3.595379 0.000000\n0.000000 0.000000 8.883230\nSr Eu P Pt\n1 1 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.762521 P\n0.333333 0.666667 0.237479 P\n0.666667 0.333333 0.243502 Pt\n0.333333 0.666667 0.756498 Pt\n","nsites":6,"nelements":4,"elements":["Sr","Eu","P","Pt"],"chemical_system":"Eu-P-Pt-Sr","density":8.662374413428486,"density_atomic":0.0452503171462494,"volume":132.59575575145584,"volume_molar":13.308505088564111,"formula_full":"Sr1 Eu1 P2 Pt2","formula_reduced":"SrEu(PPt)2","formula_anonymous":"ABC2D2","energy":-41.72530579,"energy_per_atom":-6.954217631666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.72530579,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.4660636,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.782000Z","spacegroup":164},{"id":"mp-865428","created_at":"2022-09-04T14:46:41.299946Z","structure_string":"U2 P6\n1.0\n2.703842 -4.683192 0.000000\n2.703842 4.683192 0.000000\n0.000000 0.000000 5.235568\nU P\n2 6\ndirect\n0.333333 0.666667 0.750000 U\n0.666667 0.333333 0.250000 U\n0.181983 0.363967 0.250000 P\n0.636033 0.818017 0.250000 P\n0.181983 0.818017 0.250000 P\n0.818017 0.636033 0.750000 P\n0.363967 0.181983 0.750000 P\n0.818017 0.181983 0.750000 P\n","nsites":8,"nelements":2,"elements":["U","P"],"chemical_system":"P-U","density":8.289429883678588,"density_atomic":0.06033549966160371,"volume":132.59192423811214,"volume_molar":9.98109039251459,"formula_full":"U2 P6","formula_reduced":"UP3","formula_anonymous":"AB3","energy":-59.94801859,"energy_per_atom":-7.49350232375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.94801859,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033338,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.778000Z","spacegroup":194},{"id":"mp-1523034","created_at":"2022-09-04T14:40:15.088057Z","structure_string":"Ca1 Eu1 Al1 Bi1 O6\n1.0\n-0.000000 -4.047263 -4.047263\n4.047263 -0.000000 -4.047263\n4.047263 -4.047263 0.000000\nCa Eu Al Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 -0.000000 Al\n0.500000 0.500000 0.500000 Bi\n0.762093 0.237907 0.237907 O\n0.237907 0.762093 0.762093 O\n0.762093 0.237907 0.762093 O\n0.237907 0.762093 0.237907 O\n0.762093 0.762093 0.237907 O\n0.237907 0.237907 0.762093 O\n","nsites":10,"nelements":5,"elements":["Ca","Eu","Al","Bi","O"],"chemical_system":"Al-Bi-Ca-Eu-O","density":6.562455769020653,"density_atomic":0.0754198603984904,"volume":132.59107013940005,"volume_molar":7.9848208789849995,"formula_full":"Ca1 Eu1 Al1 Bi1 O6","formula_reduced":"CaEuAlBiO6","formula_anonymous":"ABCDE6","energy":-75.54961918,"energy_per_atom":-7.554961917999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.42761918,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7412538,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.305000Z","spacegroup":216},{"id":"mp-1110579","created_at":"2022-09-04T14:42:24.184272Z","structure_string":"Li3 In1 F6\n1.0\n0.000000 4.047243 4.047243\n4.047243 0.000000 4.047243\n4.047243 4.047243 0.000000\nLi In F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.256107 0.256107 0.743893 F\n0.256107 0.743893 0.743893 F\n0.743893 0.743893 0.256107 F\n0.256107 0.743893 0.256107 F\n0.743893 0.256107 0.743893 F\n0.743893 0.256107 0.256107 F\n","nsites":10,"nelements":3,"elements":["Li","In","F"],"chemical_system":"F-In-Li","density":3.126370944043759,"density_atomic":0.07542097849641183,"volume":132.58910450857852,"volume_molar":7.9847025059301036,"formula_full":"Li3 In1 F6","formula_reduced":"Li3InF6","formula_anonymous":"AB3C6","energy":-47.79577062999999,"energy_per_atom":-4.779577063,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.02377063,"band_gap":4.8656,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001419,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.910000Z","spacegroup":225},{"id":"mp-1217114","created_at":"2022-09-04T14:46:06.385113Z","structure_string":"Ti4 As2 P2\n1.0\n1.786230 -3.093842 0.000000\n1.786230 3.093842 0.000000\n0.000000 0.000000 11.995985\nTi As P\n4 2 2\ndirect\n0.333333 0.666667 0.376966 Ti\n0.666667 0.333333 0.623034 Ti\n0.666667 0.333333 0.876966 Ti\n0.333333 0.666667 0.123034 Ti\n0.000000 0.000000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.250000 P\n","nsites":8,"nelements":3,"elements":["Ti","As","P"],"chemical_system":"As-P-Ti","density":5.050465971967691,"density_atomic":0.06033767442519665,"volume":132.58714519927284,"volume_molar":9.980730641957242,"formula_full":"Ti4 As2 P2","formula_reduced":"Ti2AsP","formula_anonymous":"ABC2","energy":-59.6572045,"energy_per_atom":-7.4571505625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.6572045,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028552,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.768000Z","spacegroup":194},{"id":"mp-20221","created_at":"2022-09-04T14:43:42.298774Z","structure_string":"Co1 Te1 Pb2 O6\n1.0\n0.000000 4.047186 4.047186\n4.047186 0.000000 4.047186\n4.047186 4.047186 0.000000\nCo Te Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Te\n0.750000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.744607 0.255393 0.744607 O\n0.255393 0.744607 0.255393 O\n0.255393 0.744607 0.744607 O\n0.255393 0.255393 0.744607 O\n0.744607 0.255393 0.255393 O\n0.744607 0.744607 0.255393 O\n","nsites":10,"nelements":4,"elements":["Co","Te","Pb","O"],"chemical_system":"Co-O-Pb-Te","density":8.728678883555876,"density_atomic":0.07542416519674215,"volume":132.58350256731694,"volume_molar":7.9843651491420395,"formula_full":"Co1 Te1 Pb2 O6","formula_reduced":"CoTe(PbO3)2","formula_anonymous":"ABC2D6","energy":-60.941670810000005,"energy_per_atom":-6.094167081,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.18167081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0027112,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.353000Z","spacegroup":225},{"id":"mp-625409","created_at":"2022-09-04T14:39:33.704611Z","structure_string":"Sm2 H6 O6\n1.0\n3.635022 0.000000 0.000000\n0.000000 6.413617 0.000000\n0.000000 3.147449 5.686947\nSm H O\n2 6 6\ndirect\n0.750000 0.659993 0.672509 Sm\n0.250000 0.340007 0.327491 Sm\n0.750000 0.727600 0.136217 H\n0.750000 0.129256 0.144176 H\n0.750000 0.141866 0.696484 H\n0.250000 0.272400 0.863783 H\n0.250000 0.870744 0.855824 H\n0.250000 0.858134 0.303516 H\n0.750000 0.609713 0.083135 O\n0.750000 0.083600 0.310862 O\n0.750000 0.314339 0.595058 O\n0.250000 0.390287 0.916865 O\n0.250000 0.916400 0.689138 O\n0.250000 0.685661 0.404942 O\n","nsites":14,"nelements":3,"elements":["Sm","H","O"],"chemical_system":"H-O-Sm","density":5.044411878945516,"density_atomic":0.1055938900496023,"volume":132.58342877058092,"volume_molar":5.703114789284801,"formula_full":"Sm2 H6 O6","formula_reduced":"Sm(HO)3","formula_anonymous":"AB3C3","energy":-90.61134894,"energy_per_atom":-6.47223921,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.48934894,"band_gap":3.7569,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.766000Z","spacegroup":11},{"id":"mp-734251","created_at":"2022-09-04T14:45:14.760937Z","structure_string":"Al4 O8\n1.0\n3.005076 0.000000 0.000000\n0.000000 4.157061 0.000000\n0.000000 0.000000 10.612694\nAl O\n4 8\ndirect\n0.250000 0.640283 0.661915 Al\n0.250000 0.859717 0.161915 Al\n0.750000 0.359717 0.338085 Al\n0.750000 0.140283 0.838085 Al\n0.750000 0.843430 0.960736 O\n0.750000 0.656570 0.460736 O\n0.250000 0.156570 0.039264 O\n0.250000 0.343430 0.539264 O\n0.750000 0.649643 0.202984 O\n0.750000 0.850357 0.702984 O\n0.250000 0.350357 0.797016 O\n0.250000 0.149643 0.297016 O\n","nsites":12,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":2.9549412500835013,"density_atomic":0.09051358083428909,"volume":132.5767900175049,"volume_molar":6.653300758286478,"formula_full":"Al4 O8","formula_reduced":"AlO2","formula_anonymous":"AB2","energy":-83.60816378,"energy_per_atom":-6.967346981666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.11216378,"band_gap":1.0972,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000942,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.096000Z","spacegroup":62},{"id":"mp-1227348","created_at":"2022-09-04T14:41:14.094475Z","structure_string":"Be8 Nb2 Mo2\n1.0\n2.272018 -3.935251 0.000000\n2.272018 3.935251 0.000000\n0.000000 0.000000 7.413961\nBe Nb Mo\n8 2 2\ndirect\n0.000000 0.000000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.829370 0.170630 0.255816 Be\n0.829370 0.658741 0.255816 Be\n0.341259 0.170630 0.255816 Be\n0.170630 0.829370 0.744184 Be\n0.170630 0.341259 0.744184 Be\n0.658741 0.829370 0.744184 Be\n0.666667 0.333333 0.929603 Nb\n0.333333 0.666667 0.070397 Nb\n0.333333 0.666667 0.439239 Mo\n0.666667 0.333333 0.560761 Mo\n","nsites":12,"nelements":3,"elements":["Be","Nb","Mo"],"chemical_system":"Be-Mo-Nb","density":5.633711500541752,"density_atomic":0.09051420630070182,"volume":132.5758738924826,"volume_molar":6.6532547830044955,"formula_full":"Be8 Nb2 Mo2","formula_reduced":"Be4NbMo","formula_anonymous":"ABC4","energy":-74.88934721,"energy_per_atom":-6.240778934166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.88934721,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002838,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.396000Z","spacegroup":164}]}