{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=122","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=120","results":[{"id":"mp-1273926","created_at":"2022-09-04T14:46:56.889641Z","structure_string":"Sr4 La4 Ti4 Mn4 O24\n1.0\n-2.764409 1.593661 4.458216\n11.688981 -6.648244 9.404720\n2.782596 4.766156 0.016368\nSr La Ti Mn O\n4 4 4 4 24\ndirect\n0.501610 0.624512 0.004297 Sr\n0.992949 0.875434 0.502258 Sr\n0.497608 0.125022 0.004423 Sr\n0.997006 0.375211 0.506753 Sr\n0.488132 0.873173 0.996768 La\n0.996545 0.123141 0.492923 La\n0.494735 0.373491 0.997702 La\n0.003755 0.623129 0.502752 La\n0.994938 0.999410 0.997221 Ti\n0.496244 0.249097 0.502090 Ti\n0.997006 0.498877 0.005623 Ti\n0.497141 0.749482 0.499599 Ti\n0.999642 0.749636 0.001282 Mn\n0.498517 0.000120 0.499789 Mn\n0.998572 0.249833 0.001374 Mn\n0.499699 0.499874 0.503223 Mn\n0.283851 0.739435 0.212638 O\n0.763231 0.985102 0.731782 O\n0.265603 0.234259 0.231550 O\n0.768799 0.486405 0.730806 O\n0.005648 0.883204 0.050222 O\n0.503470 0.133375 0.554454 O\n0.004419 0.383142 0.054526 O\n0.492809 0.633333 0.548715 O\n0.217873 0.763284 0.718373 O\n0.735197 0.015893 0.235632 O\n0.232098 0.265887 0.735314 O\n0.731011 0.514509 0.234821 O\n0.005446 0.617522 0.931499 O\n0.508178 0.867508 0.427829 O\n0.003384 0.117448 0.921966 O\n0.503740 0.367239 0.425381 O\n0.793676 0.732931 0.288501 O\n0.275155 0.982635 0.769461 O\n0.778688 0.232391 0.274966 O\n0.280809 0.483235 0.777818 O\n0.713367 0.766368 0.790692 O\n0.229001 0.018798 0.273588 O\n0.725340 0.269324 0.779557 O\n0.225119 0.517331 0.281826 O\n","nsites":40,"nelements":5,"elements":["Sr","La","Ti","Mn","O"],"chemical_system":"La-Mn-O-Sr-Ti","density":5.6904377586086685,"density_atomic":0.08057006498213923,"volume":496.4623028275725,"volume_molar":7.474414674153469,"formula_full":"Sr4 La4 Ti4 Mn4 O24","formula_reduced":"SrLaTiMnO6","formula_anonymous":"ABCDE6","energy":-343.64129983000004,"energy_per_atom":-8.591032495750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-320.48129983,"band_gap":0.7541000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001027,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.161000Z","spacegroup":1},{"id":"mp-1519810","created_at":"2022-09-04T14:43:00.518113Z","structure_string":"Na1 La1 Nb1 In1 O6\n1.0\n-0.000000 -4.106017 -4.106017\n4.106017 0.000000 -4.106017\n4.106017 -4.106017 -0.000000\nNa La Nb In 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 Nb\n0.000000 -0.000000 0.000000 In\n0.742213 0.257787 0.257787 O\n0.257787 0.742213 0.742213 O\n0.742213 0.257787 0.742213 O\n0.257787 0.742213 0.257787 O\n0.742213 0.742213 0.257787 O\n0.257787 0.257787 0.742213 O\n","nsites":10,"nelements":5,"elements":["Na","La","Nb","In","O"],"chemical_system":"In-La-Na-Nb-O","density":5.584506309888637,"density_atomic":0.07222836348475299,"volume":138.44976568119176,"volume_molar":8.33763977121154,"formula_full":"Na1 La1 Nb1 In1 O6","formula_reduced":"NaLaNbInO6","formula_anonymous":"ABCDE6","energy":-76.24141368,"energy_per_atom":-7.624141367999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.11941368,"band_gap":2.6066000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.349000Z","spacegroup":216},{"id":"mp-1523377","created_at":"2022-09-04T14:41:45.161060Z","structure_string":"Ca1 Hf1 Nb1 In1 O6\n1.0\n-0.000000 -4.101034 -4.101034\n4.101034 -0.000000 -4.101034\n4.101034 -4.101034 -0.000000\nCa Hf Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 In\n0.745873 0.254127 0.254127 O\n0.254127 0.745873 0.745873 O\n0.745873 0.254127 0.745873 O\n0.254127 0.745873 0.254127 O\n0.745873 0.745873 0.254127 O\n0.254127 0.254127 0.745873 O\n","nsites":10,"nelements":5,"elements":["Ca","Hf","Nb","In","O"],"chemical_system":"Ca-Hf-In-Nb-O","density":6.287090161271375,"density_atomic":0.07249196878223486,"volume":137.94631554344866,"volume_molar":8.307321295260238,"formula_full":"Ca1 Hf1 Nb1 In1 O6","formula_reduced":"CaHfNbInO6","formula_anonymous":"ABCDE6","energy":-84.55332536,"energy_per_atom":-8.455332536,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.43132536,"band_gap":0.5366999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.818000Z","spacegroup":216},{"id":"mp-1518082","created_at":"2022-09-04T14:41:04.839998Z","structure_string":"K1 Pr1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.090135 -4.090135\n4.090135 -0.000000 -4.090135\n4.090135 -4.090135 0.000000\nK Pr Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Fe\n0.000000 -0.000000 0.000000 Bi\n0.743766 0.256234 0.256234 O\n0.256234 0.743766 0.743766 O\n0.743766 0.256234 0.743766 O\n0.256234 0.743766 0.256234 O\n0.743766 0.743766 0.256234 O\n0.256234 0.256234 0.743766 O\n","nsites":10,"nelements":5,"elements":["K","Pr","Fe","Bi","O"],"chemical_system":"Bi-Fe-K-O-Pr","density":6.562436907361512,"density_atomic":0.07307302333951494,"volume":136.84940820824644,"volume_molar":8.241263991527594,"formula_full":"K1 Pr1 Fe1 Bi1 O6","formula_reduced":"KPrFeBiO6","formula_anonymous":"ABCDE6","energy":-67.84716792,"energy_per_atom":-6.784716792,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.46916792,"band_gap":0.3772000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.311000Z","spacegroup":216},{"id":"mp-1516349","created_at":"2022-09-04T14:46:57.017716Z","structure_string":"Sr1 Eu1 Ni1 W1 O6\n1.0\n0.000000 -3.997779 -3.997779\n3.997779 0.000000 -3.997779\n3.997779 -3.997779 -0.000000\nSr Eu Ni W 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 Ni\n0.500000 0.500000 0.500000 W\n0.743418 0.256582 0.256582 O\n0.256582 0.743418 0.743418 O\n0.743418 0.256582 0.743418 O\n0.256582 0.743418 0.256582 O\n0.743418 0.743418 0.256582 O\n0.256582 0.256582 0.743418 O\n","nsites":10,"nelements":5,"elements":["Sr","Eu","Ni","W","O"],"chemical_system":"Eu-Ni-O-Sr-W","density":7.512354803695072,"density_atomic":0.07825528136942593,"volume":127.78690236627232,"volume_molar":7.695507133340689,"formula_full":"Sr1 Eu1 Ni1 W1 O6","formula_reduced":"SrEuNiWO6","formula_anonymous":"ABCDE6","energy":-85.79223318000001,"energy_per_atom":-8.579223318,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.69123318,"band_gap":0.4733,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0000007,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.629000Z","spacegroup":216},{"id":"mp-1520954","created_at":"2022-09-04T14:41:46.873999Z","structure_string":"Ca1 Eu1 Dy1 V1 O6\n1.0\n-0.000000 -4.089254 -4.089254\n4.089254 0.000000 -4.089254\n4.089254 -4.089254 -0.000000\nCa Eu Dy V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 V\n0.733043 0.266957 0.266957 O\n0.266957 0.733043 0.733043 O\n0.733043 0.266957 0.733043 O\n0.266957 0.733043 0.266957 O\n0.733043 0.733043 0.266957 O\n0.266957 0.266957 0.733043 O\n","nsites":10,"nelements":5,"elements":["Ca","Eu","Dy","V","O"],"chemical_system":"Ca-Dy-Eu-O-V","density":6.088921441617159,"density_atomic":0.07312026266790043,"volume":136.76099668047237,"volume_molar":8.235939724876975,"formula_full":"Ca1 Eu1 Dy1 V1 O6","formula_reduced":"CaEuDyVO6","formula_anonymous":"ABCDE6","energy":-86.58294858000002,"energy_per_atom":-8.658294858000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.76094858000002,"band_gap":9.999999999976694e-05,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0134281,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.667000Z","spacegroup":216},{"id":"mp-1516183","created_at":"2022-09-04T14:42:03.222493Z","structure_string":"Nd1 Eu1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.055543 -4.055543\n4.055543 -0.000000 -4.055543\n4.055543 -4.055543 0.000000\nNd Eu Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 0.000000 Ti\n0.756965 0.243035 0.243035 O\n0.243035 0.756965 0.756965 O\n0.756965 0.243035 0.756965 O\n0.243035 0.756965 0.243035 O\n0.756965 0.756965 0.243035 O\n0.243035 0.243035 0.756965 O\n","nsites":10,"nelements":5,"elements":["Nd","Eu","Zr","Ti","O"],"chemical_system":"Eu-Nd-O-Ti-Zr","density":6.61312133818165,"density_atomic":0.0749588599731376,"volume":133.40651129944638,"volume_molar":8.033927893457966,"formula_full":"Nd1 Eu1 Zr1 Ti1 O6","formula_reduced":"NdEuZrTiO6","formula_anonymous":"ABCDE6","energy":-95.8146451,"energy_per_atom":-9.58146451,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.6926451,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.844615,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.945000Z","spacegroup":216},{"id":"mp-1521602","created_at":"2022-09-04T14:40:52.423522Z","structure_string":"Sr2 Pr2 Eu2 Sb2 O12\n1.0\n5.913059 0.006122 -0.024246\n-0.000823 6.067268 -0.001068\n-0.045749 -0.011383 8.480516\nSr Pr Eu Sb O\n2 2 2 2 12\ndirect\n0.987807 0.046985 0.251479 Sr\n0.012193 0.953015 0.748521 Sr\n0.000000 0.500000 -0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.513488 0.548102 0.248209 Eu\n0.486512 0.451898 0.751791 Eu\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.224545 0.185662 0.949388 O\n0.276149 0.684267 0.554555 O\n0.775455 0.814338 0.050612 O\n0.723851 0.315733 0.445445 O\n0.323241 0.720070 0.944783 O\n0.179198 0.222751 0.554216 O\n0.676759 0.279930 0.055217 O\n0.820802 0.777249 0.445784 O\n0.404086 0.961900 0.228347 O\n0.104158 0.467601 0.271782 O\n0.595914 0.038100 0.771653 O\n0.895842 0.532399 0.728218 O\n","nsites":20,"nelements":5,"elements":["Sr","Pr","Eu","Sb","O"],"chemical_system":"Eu-O-Pr-Sb-Sr","density":6.530438803783158,"density_atomic":0.06573731701179611,"volume":304.2411967682091,"volume_molar":9.160916559645061,"formula_full":"Sr2 Pr2 Eu2 Sb2 O12","formula_reduced":"SrPrEuSbO6","formula_anonymous":"ABCDE6","energy":-161.04343311000002,"energy_per_atom":-8.0521716555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.79943311,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9993971,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.720000Z","spacegroup":2},{"id":"mp-1522086","created_at":"2022-09-04T14:41:09.461255Z","structure_string":"Ca1 Nd1 Zr1 Cr1 O6\n1.0\n-0.000000 -4.016098 -4.016098\n4.016098 0.000000 -4.016098\n4.016098 -4.016098 -0.000000\nCa Nd Zr Cr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 -0.000000 Cr\n0.756362 0.243638 0.243638 O\n0.243638 0.756362 0.756362 O\n0.756362 0.243638 0.756362 O\n0.243638 0.756362 0.243638 O\n0.756362 0.756362 0.243638 O\n0.243638 0.243638 0.756362 O\n","nsites":10,"nelements":5,"elements":["Ca","Nd","Zr","Cr","O"],"chemical_system":"Ca-Cr-Nd-O-Zr","density":5.428714966291629,"density_atomic":0.0771892993501733,"volume":129.5516358379479,"volume_molar":7.801781867043829,"formula_full":"Ca1 Nd1 Zr1 Cr1 O6","formula_reduced":"CaNdZrCrO6","formula_anonymous":"ABCDE6","energy":-86.73179574,"energy_per_atom":-8.673179573999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.61079574000001,"band_gap":2.4074000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.378000Z","spacegroup":216},{"id":"mp-1517811","created_at":"2022-09-04T14:40:28.864241Z","structure_string":"K1 La1 Ce1 Ni1 O6\n1.0\n0.000000 -4.053644 -4.053644\n4.053644 0.000000 -4.053644\n4.053644 -4.053644 0.000000\nK La Ce Ni O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.731398 0.268602 0.268602 O\n0.268602 0.731398 0.731398 O\n0.731398 0.268602 0.731398 O\n0.268602 0.731398 0.268602 O\n0.731398 0.731398 0.268602 O\n0.268602 0.268602 0.731398 O\n","nsites":10,"nelements":5,"elements":["K","La","Ce","Ni","O"],"chemical_system":"Ce-K-La-Ni-O","density":5.893435627525884,"density_atomic":0.07506425667573684,"volume":133.21919703006023,"volume_molar":8.022647564491965,"formula_full":"K1 La1 Ce1 Ni1 O6","formula_reduced":"KLaCeNiO6","formula_anonymous":"ABCDE6","energy":-72.35572635,"energy_per_atom":-7.235572635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.69272635,"band_gap":1.3357,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.330000Z","spacegroup":216},{"id":"mp-1519405","created_at":"2022-09-04T14:44:28.072457Z","structure_string":"Ba2 Sr2 Y2 W2 O12\n1.0\n5.990633 0.016933 0.029597\n0.018484 5.965043 0.005156\n0.043302 0.008493 8.414490\nBa Sr Y W O\n2 2 2 2 12\ndirect\n0.994679 0.019653 0.248621 Ba\n0.005321 0.980347 0.751379 Ba\n0.503221 0.521610 0.251622 Sr\n0.496779 0.478390 0.748378 Sr\n0.500000 0.000000 -0.000000 Y\n-0.000000 0.500000 0.500000 Y\n-0.000000 0.500000 -0.000000 W\n0.500000 0.000000 0.500000 W\n0.213861 0.238284 0.966862 O\n0.294817 0.728303 0.531853 O\n0.786139 0.761716 0.033138 O\n0.705183 0.271697 0.468147 O\n0.266966 0.702504 0.971105 O\n0.241222 0.210375 0.524694 O\n0.733034 0.297496 0.028895 O\n0.758778 0.789625 0.475306 O\n0.445416 0.991628 0.265453 O\n0.064377 0.499914 0.233899 O\n0.554584 0.008372 0.734547 O\n0.935623 0.500086 0.766101 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","Y","W","O"],"chemical_system":"Ba-O-Sr-W-Y","density":6.557516606864821,"density_atomic":0.06651676454681389,"volume":300.6760797260995,"volume_molar":9.053568376377767,"formula_full":"Ba2 Sr2 Y2 W2 O12","formula_reduced":"BaSrYWO6","formula_anonymous":"ABCDE6","energy":-168.08909611,"energy_per_atom":-8.4044548055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.96909611,"band_gap":2.0381,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.218000Z","spacegroup":2},{"id":"mp-703273","created_at":"2022-09-04T14:39:48.124110Z","structure_string":"K5 Ba5 Li5 Zn5 F30\n1.0\n23.854151 -2.900869 0.000000\n23.854151 2.900869 0.000000\n23.501380 0.000000 5.012054\nK Ba Li Zn F\n5 5 5 5 30\ndirect\n0.298324 0.298324 0.298324 K\n0.599491 0.599491 0.599491 K\n0.199390 0.199390 0.199390 K\n0.100224 0.100224 0.100224 K\n0.700171 0.700171 0.700171 K\n0.001154 0.001154 0.001154 Ba\n0.899893 0.899893 0.899893 Ba\n0.501649 0.501649 0.501649 Ba\n0.801150 0.801150 0.801150 Ba\n0.400096 0.400096 0.400096 Ba\n0.250606 0.250606 0.250606 Li\n0.849667 0.849667 0.849667 Li\n0.151438 0.151438 0.151438 Li\n0.750253 0.750253 0.750253 Li\n0.349963 0.349963 0.349963 Li\n0.650327 0.650327 0.650327 Zn\n0.949018 0.949018 0.949018 Zn\n0.449487 0.449487 0.449487 Zn\n0.550269 0.550269 0.550269 Zn\n0.050077 0.050077 0.050077 Zn\n0.999778 0.500209 0.500209 F\n0.806209 0.290688 0.806209 F\n0.500209 0.500209 0.999778 F\n0.806209 0.806209 0.290688 F\n0.290688 0.806209 0.806209 F\n0.500209 0.999778 0.500209 F\n0.606339 0.096181 0.096181 F\n0.399942 0.900234 0.399942 F\n0.096181 0.096181 0.606339 F\n0.399942 0.399942 0.900234 F\n0.900234 0.399942 0.399942 F\n0.096181 0.606339 0.096181 F\n0.200990 0.699568 0.699568 F\n0.995197 0.506275 0.995197 F\n0.699568 0.699568 0.200990 F\n0.995197 0.995197 0.506275 F\n0.699568 0.200990 0.699568 F\n0.506275 0.995197 0.995197 F\n0.599124 0.101083 0.599124 F\n0.793341 0.303911 0.303911 F\n0.303911 0.303911 0.793341 F\n0.599124 0.599124 0.101083 F\n0.101083 0.599124 0.599124 F\n0.303911 0.793341 0.303911 F\n0.400905 0.899566 0.899566 F\n0.200036 0.700078 0.200036 F\n0.200036 0.200036 0.700078 F\n0.899566 0.899566 0.400905 F\n0.700078 0.200036 0.200036 F\n0.899566 0.400905 0.899566 F\n","nsites":50,"nelements":5,"elements":["K","Ba","Li","Zn","F"],"chemical_system":"Ba-F-K-Li-Zn","density":4.342177011880633,"density_atomic":0.07208288930134932,"volume":693.6458913428163,"volume_molar":8.35446639052421,"formula_full":"K5 Ba5 Li5 Zn5 F30","formula_reduced":"KBaLiZnF6","formula_anonymous":"ABCDE6","energy":-252.39383005,"energy_per_atom":-5.047876601,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-238.53383005,"band_gap":4.4943,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.46e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.656000Z","spacegroup":160}]}