{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=63","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=61","results":[{"id":"mp-20758","created_at":"2022-09-04T14:48:14.136914Z","structure_string":"Cr4 Co2 O8\n1.0\n1.728687 4.889415 2.994152\n0.000001 0.000000 5.988303\n3.457326 -4.889430 0.000001\nCr Co O\n4 2 8\ndirect\n0.500000 0.499998 0.500000 Cr\n0.500003 0.499997 0.000001 Cr\n0.999997 0.000003 0.499995 Cr\n0.999999 0.500001 0.499999 Cr\n0.250000 0.125000 0.125001 Co\n0.750000 0.875000 0.875000 Co\n0.477115 0.738557 0.738559 O\n0.522884 0.715672 0.261443 O\n0.977115 0.261443 0.261443 O\n0.977116 0.261442 0.715673 O\n0.022885 0.738557 0.738558 O\n0.022885 0.738558 0.284328 O\n0.522884 0.261443 0.261443 O\n0.477116 0.284328 0.738558 O\n","nsites":14,"nelements":3,"elements":["Cr","Co","O"],"chemical_system":"Co-Cr-O","density":4.963213177313251,"density_atomic":0.09220051881563351,"volume":151.84296335679795,"volume_molar":6.531569276786852,"formula_full":"Cr4 Co2 O8","formula_reduced":"Cr2CoO4","formula_anonymous":"AB2C4","energy":-122.31646188,"energy_per_atom":-8.736890134285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.54846188,"band_gap":2.6060000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.9999802,"is_theoretical":false,"updated_at":"2021-11-28T01:40:10.475000Z","spacegroup":227},{"id":"mp-19784","created_at":"2022-09-04T14:48:13.867936Z","structure_string":"In4 Si4 O14\n1.0\n0.000000 4.773434 4.773434\n4.773434 0.000000 4.773434\n4.773434 4.773434 0.000000\nIn Si O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 In\n0.625000 0.125000 0.125000 In\n0.125000 0.125000 0.625000 In\n0.125000 0.625000 0.125000 In\n0.625000 0.625000 0.625000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.625000 0.125000 Si\n0.625000 0.125000 0.625000 Si\n0.696075 0.696075 0.303925 O\n0.946075 0.946075 0.553925 O\n0.303925 0.696075 0.303925 O\n0.303925 0.696075 0.696075 O\n0.696075 0.303925 0.303925 O\n0.696075 0.303925 0.696075 O\n0.946075 0.553925 0.946075 O\n0.553925 0.946075 0.553925 O\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.303925 0.303925 0.696075 O\n0.553925 0.946075 0.946075 O\n0.946075 0.553925 0.553925 O\n0.553925 0.553925 0.946075 O\n","nsites":22,"nelements":3,"elements":["In","Si","O"],"chemical_system":"In-O-Si","density":6.0732920617099655,"density_atomic":0.10113463669268294,"volume":217.5318043298186,"volume_molar":5.954577933867933,"formula_full":"In4 Si4 O14","formula_reduced":"In2Si2O7","formula_anonymous":"A2B2C7","energy":-158.26935067,"energy_per_atom":-7.194061394090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.65135067,"band_gap":1.8099,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007077,"is_theoretical":false,"updated_at":"2021-11-28T01:38:34.121000Z","spacegroup":227},{"id":"mp-754289","created_at":"2022-09-04T14:48:13.335217Z","structure_string":"Mn4 Hg4 O14\n1.0\n0.000189 5.074768 5.074796\n5.074625 0.000321 5.074666\n5.074853 5.074863 0.000093\nMn Hg O\n4 4 14\ndirect\n0.000001 0.999996 0.000002 Mn\n0.499998 0.000005 0.999994 Mn\n0.999997 0.000001 0.500000 Mn\n0.000009 0.499997 0.999998 Mn\n0.499998 0.000000 0.500001 Hg\n0.500001 0.500001 0.000000 Hg\n0.999999 0.499999 0.500002 Hg\n0.500000 0.500002 0.499998 Hg\n0.678880 0.071103 0.071108 O\n0.928910 0.321112 0.321115 O\n0.071091 0.071111 0.678893 O\n0.678878 0.678893 0.071103 O\n0.374968 0.374999 0.375004 O\n0.678868 0.071111 0.678883 O\n0.071087 0.678896 0.071110 O\n0.321126 0.928893 0.321116 O\n0.928905 0.928886 0.321112 O\n0.321129 0.321110 0.928892 O\n0.625031 0.625001 0.624996 O\n0.928916 0.321099 0.928893 O\n0.071089 0.678890 0.678883 O\n0.321116 0.928897 0.928894 O\n","nsites":22,"nelements":3,"elements":["Mn","Hg","O"],"chemical_system":"Hg-Mn-O","density":7.916844665013236,"density_atomic":0.08417274564509346,"volume":261.36726123632644,"volume_molar":7.154501987367499,"formula_full":"Mn4 Hg4 O14","formula_reduced":"Mn2Hg2O7","formula_anonymous":"A2B2C7","energy":-132.81994538,"energy_per_atom":-6.0372702445454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.52994538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0028096,"is_theoretical":true,"updated_at":"2021-11-28T01:38:39.564000Z","spacegroup":227},{"id":"mp-753222","created_at":"2022-09-04T14:48:13.151764Z","structure_string":"Fe4 Co2 O8\n1.0\n-4.281646 -4.281646 0.000000\n-4.281646 0.000000 -4.281646\n0.000000 -4.281646 -4.281646\nFe Co O\n4 2 8\ndirect\n0.875000 0.375000 0.375000 Fe\n0.375000 0.875000 0.375000 Fe\n0.375000 0.375000 0.875000 Fe\n0.375000 0.375000 0.375000 Fe\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Co\n0.593320 0.135560 0.135560 O\n0.135560 0.593320 0.135560 O\n0.135560 0.135560 0.593320 O\n0.135560 0.135560 0.135560 O\n0.156680 0.614440 0.614440 O\n0.614440 0.156680 0.614440 O\n0.614440 0.614440 0.156680 O\n0.614440 0.614440 0.614440 O\n","nsites":14,"nelements":3,"elements":["Fe","Co","O"],"chemical_system":"Co-Fe-O","density":4.963446288997631,"density_atomic":0.08917965073028179,"volume":156.98648610255398,"volume_molar":6.752819405195457,"formula_full":"Fe4 Co2 O8","formula_reduced":"Fe2CoO4","formula_anonymous":"AB2C4","energy":-109.74562744,"energy_per_atom":-7.8389733885714294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.94962744,"band_gap":1.5511,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":25.9999252,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.057000Z","spacegroup":227},{"id":"mp-1178397","created_at":"2022-09-04T14:48:13.326793Z","structure_string":"Cs2 Ga2 O4\n1.0\n0.000000 4.254310 4.254310\n4.254310 0.000000 4.254310\n4.254310 4.254310 0.000000\nCs Ga O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Ga\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.625000 O\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n","nsites":8,"nelements":3,"elements":["Cs","Ga","O"],"chemical_system":"Cs-Ga-O","density":5.059879259000099,"density_atomic":0.05194844996065579,"volume":153.998820100676,"volume_molar":11.592532144002353,"formula_full":"Cs2 Ga2 O4","formula_reduced":"CsGaO2","formula_anonymous":"ABC2","energy":-44.20122811,"energy_per_atom":-5.52515351375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.45322811,"band_gap":2.7962,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006783,"is_theoretical":true,"updated_at":"2021-11-28T01:38:39.816000Z","spacegroup":227},{"id":"mp-505574","created_at":"2022-09-04T14:48:12.345519Z","structure_string":"Co8 Mo16 C4\n1.0\n0.000000 5.649414 5.649414\n5.649414 0.000000 5.649414\n5.649414 5.649414 0.000000\nCo Mo C\n8 16 4\ndirect\n0.918762 0.243713 0.918762 Co\n0.331238 0.331238 0.006287 Co\n0.006287 0.331238 0.331238 Co\n0.331238 0.331238 0.331238 Co\n0.243713 0.918762 0.918762 Co\n0.918762 0.918762 0.918762 Co\n0.918762 0.918762 0.243713 Co\n0.331238 0.006287 0.331238 Co\n0.125000 0.625000 0.125000 Mo\n0.125000 0.125000 0.625000 Mo\n0.625000 0.125000 0.125000 Mo\n0.125000 0.125000 0.125000 Mo\n0.937769 0.937769 0.562231 Mo\n0.687769 0.312231 0.312231 Mo\n0.312231 0.687769 0.687769 Mo\n0.687769 0.687769 0.312231 Mo\n0.687769 0.312231 0.687769 Mo\n0.312231 0.687769 0.312231 Mo\n0.562231 0.937769 0.562231 Mo\n0.562231 0.937769 0.937769 Mo\n0.937769 0.562231 0.562231 Mo\n0.937769 0.562231 0.937769 Mo\n0.312231 0.312231 0.687769 Mo\n0.562231 0.562231 0.937769 Mo\n0.625000 0.125000 0.625000 C\n0.625000 0.625000 0.125000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.625000 0.625000 C\n","nsites":28,"nelements":3,"elements":["Co","Mo","C"],"chemical_system":"C-Co-Mo","density":9.46074342125575,"density_atomic":0.07764577518674624,"volume":360.612022130722,"volume_molar":7.755915560783724,"formula_full":"Co8 Mo16 C4","formula_reduced":"Co2Mo4C","formula_anonymous":"AB2C4","energy":-269.04422444,"energy_per_atom":-9.608722301428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.04422444,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0107061,"is_theoretical":false,"updated_at":"2021-11-28T01:38:31.130000Z","spacegroup":227},{"id":"mp-1176523","created_at":"2022-09-04T14:48:12.137415Z","structure_string":"Li4 V4 O8\n1.0\n0.000000 4.208152 4.208152\n4.208152 0.000000 4.208152\n4.208152 4.208152 0.000000\nLi V O\n4 4 8\ndirect\n0.125000 0.625000 0.625000 Li\n0.625000 0.125000 0.625000 Li\n0.625000 0.625000 0.625000 Li\n0.625000 0.625000 0.125000 Li\n0.125000 0.125000 0.625000 V\n0.125000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.625000 0.125000 0.125000 V\n0.881070 0.881070 0.356789 O\n0.881070 0.356789 0.881070 O\n0.881070 0.881070 0.881070 O\n0.893211 0.368930 0.368930 O\n0.356789 0.881070 0.881070 O\n0.368930 0.368930 0.368930 O\n0.368930 0.893211 0.368930 O\n0.368930 0.368930 0.893211 O\n","nsites":16,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":4.005660920303867,"density_atomic":0.10735338232641185,"volume":149.04048343210482,"volume_molar":5.609642313541145,"formula_full":"Li4 V4 O8","formula_reduced":"LiVO2","formula_anonymous":"ABC2","energy":-123.26186964,"energy_per_atom":-7.7038668525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.96586964,"band_gap":1.5373,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:35.786000Z","spacegroup":227},{"id":"mp-2358","created_at":"2022-09-04T14:48:10.910359Z","structure_string":"Sm2 Al4\n1.0\n0.000000 3.989058 3.989058\n3.989058 0.000000 3.989058\n3.989058 3.989058 0.000000\nSm Al\n2 4\ndirect\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Sm\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.125000 0.125000 Al\n","nsites":6,"nelements":2,"elements":["Sm","Al"],"chemical_system":"Al-Sm","density":5.345095454765737,"density_atomic":0.047261793904735616,"volume":126.95243883662236,"volume_molar":12.742090941657176,"formula_full":"Sm2 Al4","formula_reduced":"SmAl2","formula_anonymous":"AB2","energy":-27.50700303,"energy_per_atom":-4.584500505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.50700303,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0134061,"is_theoretical":false,"updated_at":"2021-11-28T01:38:34.335000Z","spacegroup":227},{"id":"mp-1194252","created_at":"2022-09-04T14:48:10.799290Z","structure_string":"Zr16 Pt8 N4\n1.0\n0.000000 6.292321 6.292321\n6.292321 0.000000 6.292321\n6.292321 6.292321 0.000000\nZr Pt N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.817659 0.817659 0.182341 Zr\n0.182341 0.182341 0.817659 Zr\n0.817659 0.182341 0.817659 Zr\n0.182341 0.817659 0.182341 Zr\n0.182341 0.817659 0.817659 Zr\n0.817659 0.182341 0.182341 Zr\n0.432341 0.432341 0.067659 Zr\n0.067659 0.067659 0.432341 Zr\n0.432341 0.067659 0.432341 Zr\n0.067659 0.432341 0.067659 Zr\n0.067659 0.432341 0.432341 Zr\n0.432341 0.067659 0.067659 Zr\n0.780653 0.406449 0.406449 Pt\n0.406449 0.780653 0.406449 Pt\n0.406449 0.406449 0.780653 Pt\n0.406449 0.406449 0.406449 Pt\n0.469347 0.843551 0.843551 Pt\n0.843551 0.469347 0.843551 Pt\n0.843551 0.843551 0.469347 Pt\n0.843551 0.843551 0.843551 Pt\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n","nsites":28,"nelements":3,"elements":["Zr","Pt","N"],"chemical_system":"N-Pt-Zr","density":10.252098012754566,"density_atomic":0.0561947089358912,"volume":498.2675509885341,"volume_molar":10.716561886405104,"formula_full":"Zr16 Pt8 N4","formula_reduced":"Zr4Pt2N","formula_anonymous":"AB2C4","energy":-252.76562011,"energy_per_atom":-9.027343575357142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.32162011,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008393,"is_theoretical":false,"updated_at":"2021-11-28T01:38:33.335000Z","spacegroup":227},{"id":"mp-1214182","created_at":"2022-09-04T14:48:10.370493Z","structure_string":"Bi8 Au2\n1.0\n0.000000 5.544465 5.544465\n5.544465 0.000000 5.544465\n5.544465 5.544465 0.000000\nBi Au\n8 2\ndirect\n0.398206 0.398206 0.398206 Bi\n0.398206 0.398206 0.805382 Bi\n0.398206 0.805383 0.398206 Bi\n0.851794 0.851794 0.444618 Bi\n0.851794 0.851794 0.851794 Bi\n0.805382 0.398206 0.398206 Bi\n0.851794 0.444618 0.851794 Bi\n0.444617 0.851794 0.851794 Bi\n0.000000 0.000000 0.000000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":10,"nelements":2,"elements":["Bi","Au"],"chemical_system":"Au-Bi","density":10.062907057734131,"density_atomic":0.029335335903830327,"volume":340.8858188221494,"volume_molar":20.52862384034841,"formula_full":"Bi8 Au2","formula_reduced":"Bi4Au","formula_anonymous":"AB4","energy":-35.2080628,"energy_per_atom":-3.52080628,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.2080628,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012095,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.926000Z","spacegroup":227},{"id":"mp-1212172","created_at":"2022-09-04T14:48:10.345280Z","structure_string":"Pr8 Co2\n1.0\n0.000000 5.558276 5.558276\n5.558276 0.000000 5.558276\n5.558276 5.558276 0.000000\nPr Co\n8 2\ndirect\n0.384161 0.384161 0.384161 Pr\n0.384161 0.384161 0.847517 Pr\n0.384161 0.847517 0.384161 Pr\n0.865839 0.865839 0.402483 Pr\n0.865839 0.865839 0.865839 Pr\n0.847517 0.384161 0.384161 Pr\n0.865839 0.402483 0.865839 Pr\n0.402483 0.865839 0.865839 Pr\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n","nsites":10,"nelements":2,"elements":["Pr","Co"],"chemical_system":"Co-Pr","density":6.0202237648458174,"density_atomic":0.02911720471243231,"volume":343.43956086314336,"volume_molar":20.682413780704362,"formula_full":"Pr8 Co2","formula_reduced":"Pr4Co","formula_anonymous":"AB4","energy":-49.4037391,"energy_per_atom":-4.94037391,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.4037391,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4410276,"is_theoretical":true,"updated_at":"2021-11-28T01:38:36.011000Z","spacegroup":227},{"id":"mp-1193346","created_at":"2022-09-04T14:48:09.347687Z","structure_string":"Zr16 Co8 N4\n1.0\n0.000000 6.099517 6.099517\n6.099517 0.000000 6.099517\n6.099517 6.099517 0.000000\nZr Co N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.815028 0.815028 0.184972 Zr\n0.184972 0.184972 0.815028 Zr\n0.815028 0.184972 0.815028 Zr\n0.184972 0.815028 0.184972 Zr\n0.184972 0.815028 0.815028 Zr\n0.815028 0.184972 0.184972 Zr\n0.434972 0.434972 0.065028 Zr\n0.065028 0.065028 0.434972 Zr\n0.434972 0.065028 0.434972 Zr\n0.065028 0.434972 0.065028 Zr\n0.065028 0.434972 0.434972 Zr\n0.434972 0.065028 0.065028 Zr\n0.763042 0.412319 0.412319 Co\n0.412319 0.763042 0.412319 Co\n0.412319 0.412319 0.763042 Co\n0.412319 0.412319 0.412319 Co\n0.486958 0.837681 0.837681 Co\n0.837681 0.486958 0.837681 Co\n0.837681 0.837681 0.486958 Co\n0.837681 0.837681 0.837681 Co\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n","nsites":28,"nelements":3,"elements":["Zr","Co","N"],"chemical_system":"Co-N-Zr","density":7.270216103381192,"density_atomic":0.06169382503592831,"volume":453.854173958152,"volume_molar":9.761334714605422,"formula_full":"Zr16 Co8 N4","formula_reduced":"Zr4Co2N","formula_anonymous":"AB2C4","energy":-248.29951476,"energy_per_atom":-8.867839812857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.85551476000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0126297,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.995000Z","spacegroup":227}]}