{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=97","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=95","results":[{"id":"mp-1400865","created_at":"2022-09-04T14:45:42.555863Z","structure_string":"Mg2 Cu4 O8\n1.0\n0.000000 4.199975 4.199975\n4.199975 0.000000 4.199975\n4.199975 4.199975 0.000000\nMg Cu O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.625000 Cu\n0.625000 0.125000 0.125000 Cu\n0.125000 0.125000 0.125000 Cu\n0.125000 0.625000 0.125000 Cu\n0.908109 0.363964 0.363964 O\n0.363964 0.363964 0.908109 O\n0.363964 0.363964 0.363964 O\n0.341891 0.886036 0.886036 O\n0.886036 0.341891 0.886036 O\n0.886036 0.886036 0.341891 O\n0.363964 0.908109 0.363964 O\n0.886036 0.886036 0.886036 O\n","nsites":14,"nelements":3,"elements":["Mg","Cu","O"],"chemical_system":"Cu-Mg-O","density":4.827739108836828,"density_atomic":0.09448392454227553,"volume":148.17335401575,"volume_molar":6.373719962601126,"formula_full":"Mg2 Cu4 O8","formula_reduced":"Mg(CuO2)2","formula_anonymous":"AB2C4","energy":-78.81537232,"energy_per_atom":-5.629669451428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.31937232,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.7662335,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.584000Z","spacegroup":227},{"id":"mp-946","created_at":"2022-09-04T14:45:42.892206Z","structure_string":"Pr2 Ir4\n1.0\n0.000000 3.863429 3.863429\n3.863429 0.000000 3.863429\n3.863429 3.863429 0.000000\nPr Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Pr\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n","nsites":6,"nelements":2,"elements":["Pr","Ir"],"chemical_system":"Ir-Pr","density":15.127672886920205,"density_atomic":0.052023845164999714,"volume":115.3317287672662,"volume_molar":11.575731745510305,"formula_full":"Pr2 Ir4","formula_reduced":"PrIr2","formula_anonymous":"AB2","energy":-48.99233519,"energy_per_atom":-8.165389198333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.99233519,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003874,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.648000Z","spacegroup":227},{"id":"mp-756","created_at":"2022-09-04T14:45:43.568495Z","structure_string":"Tb2 Al4\n1.0\n0.000000 3.945573 3.945573\n3.945573 0.000000 3.945573\n3.945573 3.945573 0.000000\nTb Al\n2 4\ndirect\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Tb\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n","nsites":6,"nelements":2,"elements":["Tb","Al"],"chemical_system":"Al-Tb","density":5.755338900088705,"density_atomic":0.04884172631505353,"volume":122.84578070187371,"volume_molar":12.329909719312917,"formula_full":"Tb2 Al4","formula_reduced":"TbAl2","formula_anonymous":"AB2","energy":-27.37313823,"energy_per_atom":-4.562189705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.37313823,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0657869,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.065000Z","spacegroup":227},{"id":"mp-557697","created_at":"2022-09-04T14:45:54.346225Z","structure_string":"Hg4 Sb4 O14\n1.0\n0.000000 5.275246 5.275246\n5.275246 0.000000 5.275246\n5.275246 5.275246 0.000000\nHg Sb O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Hg\n0.625000 0.125000 0.625000 Hg\n0.625000 0.625000 0.125000 Hg\n0.125000 0.625000 0.625000 Hg\n0.125000 0.625000 0.125000 Sb\n0.125000 0.125000 0.125000 Sb\n0.125000 0.125000 0.625000 Sb\n0.625000 0.125000 0.125000 Sb\n0.804330 0.804330 0.195670 O\n0.804330 0.195670 0.804330 O\n0.054330 0.054330 0.445670 O\n0.804330 0.195670 0.195670 O\n0.445670 0.445670 0.054330 O\n0.054330 0.445670 0.054330 O\n0.195670 0.804330 0.804330 O\n0.445670 0.054330 0.445670 O\n0.500000 0.500000 0.500000 O\n0.195670 0.804330 0.195670 O\n0.195670 0.195670 0.804330 O\n0.750000 0.750000 0.750000 O\n0.445670 0.054330 0.054330 O\n0.054330 0.445670 0.445670 O\n","nsites":22,"nelements":3,"elements":["Hg","Sb","O"],"chemical_system":"Hg-O-Sb","density":8.559379265392806,"density_atomic":0.0749315186491816,"volume":293.6014162878612,"volume_molar":8.03685934645844,"formula_full":"Hg4 Sb4 O14","formula_reduced":"Hg2Sb2O7","formula_anonymous":"A2B2C7","energy":-119.30132677,"energy_per_atom":-5.422787580454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.68332677,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000219,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.770000Z","spacegroup":227},{"id":"mp-1392996","created_at":"2022-09-04T14:45:53.196104Z","structure_string":"Ca2 Ag4 O8\n1.0\n0.000000 4.694822 4.694822\n4.694822 0.000000 4.694822\n4.694822 4.694822 0.000000\nCa Ag O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.125000 0.125000 0.625000 Ag\n0.625000 0.125000 0.125000 Ag\n0.125000 0.125000 0.125000 Ag\n0.125000 0.625000 0.125000 Ag\n0.913796 0.362068 0.362068 O\n0.362068 0.362068 0.913796 O\n0.362068 0.362068 0.362068 O\n0.336204 0.887932 0.887932 O\n0.887932 0.336204 0.887932 O\n0.887932 0.887932 0.336204 O\n0.362068 0.913796 0.362068 O\n0.887932 0.887932 0.887932 O\n","nsites":14,"nelements":3,"elements":["Ca","Ag","O"],"chemical_system":"Ag-Ca-O","density":5.131997778650618,"density_atomic":0.06764577035760123,"volume":206.96046369182704,"volume_molar":8.902464600764656,"formula_full":"Ca2 Ag4 O8","formula_reduced":"Ca(AgO2)2","formula_anonymous":"AB2C4","energy":-69.8263996,"energy_per_atom":-4.987599971428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.3303996,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9310023,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.356000Z","spacegroup":227},{"id":"mp-1067260","created_at":"2022-09-04T14:45:53.432028Z","structure_string":"Ca2 W2\n1.0\n0.000000 3.453028 3.453028\n3.453028 0.000000 3.453028\n3.453028 3.453028 0.000000\nCa W\n2 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 W\n","nsites":4,"nelements":2,"elements":["Ca","W"],"chemical_system":"Ca-W","density":9.031040792286069,"density_atomic":0.048576888753243,"volume":82.34368446935497,"volume_molar":12.39713146428704,"formula_full":"Ca2 W2","formula_reduced":"CaW","formula_anonymous":"AB","energy":-26.13633534,"energy_per_atom":-6.534083835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.13633534,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005996,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.452000Z","spacegroup":227},{"id":"mp-1208743","created_at":"2022-09-04T14:45:53.791698Z","structure_string":"Sr8 Rh2\n1.0\n0.000000 6.166602 6.166602\n6.166602 0.000000 6.166602\n6.166602 6.166602 0.000000\nSr Rh\n8 2\ndirect\n0.378671 0.378671 0.378671 Sr\n0.378671 0.378671 0.863987 Sr\n0.378671 0.863987 0.378671 Sr\n0.871329 0.871329 0.386013 Sr\n0.871329 0.871329 0.871329 Sr\n0.863987 0.378671 0.378671 Sr\n0.871329 0.386013 0.871329 Sr\n0.386013 0.871329 0.871329 Sr\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Rh\n","nsites":10,"nelements":2,"elements":["Sr","Rh"],"chemical_system":"Rh-Sr","density":3.2105465097675796,"density_atomic":0.021322211456948473,"volume":468.9945046362067,"volume_molar":28.243509225857096,"formula_full":"Sr8 Rh2","formula_reduced":"Sr4Rh","formula_anonymous":"AB4","energy":-27.45577798,"energy_per_atom":-2.7455777980000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.45577798,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003823,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.654000Z","spacegroup":227},{"id":"mp-22684","created_at":"2022-09-04T14:45:53.812322Z","structure_string":"Fe4 Ni2 O8\n1.0\n0.000000 4.240011 4.240011\n4.240011 0.000000 4.240011\n4.240011 4.240011 0.000000\nFe Ni O\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.125000 0.125000 Fe\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Ni\n0.902272 0.365909 0.365909 O\n0.365909 0.902272 0.365909 O\n0.365909 0.365909 0.902272 O\n0.365909 0.365909 0.365909 O\n0.347728 0.884091 0.884091 O\n0.884091 0.347728 0.884091 O\n0.884091 0.884091 0.347728 O\n0.884091 0.884091 0.884091 O\n","nsites":14,"nelements":3,"elements":["Fe","Ni","O"],"chemical_system":"Fe-Ni-O","density":5.105879374243736,"density_atomic":0.09183264434460013,"volume":152.45123452467823,"volume_molar":6.557734238167029,"formula_full":"Fe4 Ni2 O8","formula_reduced":"Fe2NiO4","formula_anonymous":"AB2C4","energy":-106.14574597,"energy_per_atom":-7.581838997857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.54374597,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000002,"is_theoretical":false,"updated_at":"2021-11-28T01:37:08.393000Z","spacegroup":227},{"id":"mp-3807","created_at":"2022-09-04T14:45:53.992553Z","structure_string":"Al4 Cd2 Se8\n1.0\n0.000000 5.485243 5.485243\n5.485243 0.000000 5.485243\n5.485243 5.485243 0.000000\nAl Cd Se\n4 2 8\ndirect\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.360983 0.360983 0.917051 Se\n0.889017 0.332949 0.889017 Se\n0.360983 0.917051 0.360983 Se\n0.889017 0.889017 0.332949 Se\n0.332949 0.889017 0.889017 Se\n0.889017 0.889017 0.889017 Se\n0.917051 0.360983 0.360983 Se\n0.360983 0.360983 0.360983 Se\n","nsites":14,"nelements":3,"elements":["Al","Cd","Se"],"chemical_system":"Al-Cd-Se","density":4.851782976515487,"density_atomic":0.042414116445772726,"volume":330.07878445138124,"volume_molar":14.198435013256553,"formula_full":"Al4 Cd2 Se8","formula_reduced":"Al2CdSe4","formula_anonymous":"AB2C4","energy":-59.281807150000006,"energy_per_atom":-4.234414796428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.50580715,"band_gap":1.2611000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005417,"is_theoretical":false,"updated_at":"2021-11-28T01:37:10.471000Z","spacegroup":227},{"id":"mp-1212224","created_at":"2022-09-04T14:45:54.283406Z","structure_string":"Hf8 V2\n1.0\n-4.858902 -4.858902 0.000000\n-4.858902 0.000000 -4.858902\n0.000000 -4.858902 -4.858902\nHf V\n8 2\ndirect\n0.606340 0.606340 0.606340 Hf\n0.180980 0.606340 0.606340 Hf\n0.606340 0.180980 0.606340 Hf\n0.569020 0.143660 0.143660 Hf\n0.143660 0.143660 0.143660 Hf\n0.606340 0.606340 0.180980 Hf\n0.143660 0.569020 0.143660 Hf\n0.143660 0.143660 0.569020 Hf\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 V\n","nsites":10,"nelements":2,"elements":["Hf","V"],"chemical_system":"Hf-V","density":11.072359820103989,"density_atomic":0.043586860141519815,"volume":229.42694122796507,"volume_molar":13.816413342110529,"formula_full":"Hf8 V2","formula_reduced":"Hf4V","formula_anonymous":"AB4","energy":-88.4149437,"energy_per_atom":-8.84149437,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.4149437,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7182338,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.274000Z","spacegroup":227},{"id":"mp-557684","created_at":"2022-09-04T14:45:54.789796Z","structure_string":"Er4 V4 O14\n1.0\n0.000000 5.030400 5.030400\n5.030400 0.000000 5.030400\n5.030400 5.030400 0.000000\nEr V O\n4 4 14\ndirect\n0.625000 0.125000 0.625000 Er\n0.625000 0.625000 0.625000 Er\n0.125000 0.625000 0.625000 Er\n0.625000 0.625000 0.125000 Er\n0.125000 0.625000 0.125000 V\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.125000 0.125000 0.125000 V\n0.500000 0.500000 0.500000 O\n0.792274 0.792274 0.207726 O\n0.457726 0.042274 0.457726 O\n0.042274 0.457726 0.457726 O\n0.457726 0.042274 0.042274 O\n0.042274 0.042274 0.457726 O\n0.207726 0.207726 0.792274 O\n0.750000 0.750000 0.750000 O\n0.207726 0.792274 0.207726 O\n0.207726 0.792274 0.792274 O\n0.042274 0.457726 0.042274 O\n0.792274 0.207726 0.207726 O\n0.457726 0.457726 0.042274 O\n0.792274 0.207726 0.792274 O\n","nsites":22,"nelements":3,"elements":["Er","V","O"],"chemical_system":"Er-O-V","density":7.153794316923874,"density_atomic":0.08641420226274243,"volume":254.58778098892805,"volume_molar":6.968924785869894,"formula_full":"Er4 V4 O14","formula_reduced":"Er2V2O7","formula_anonymous":"A2B2C7","energy":-195.39503669,"energy_per_atom":-8.881592576818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.97703669,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998408,"is_theoretical":false,"updated_at":"2021-11-28T01:37:10.342000Z","spacegroup":227},{"id":"mp-1103982","created_at":"2022-09-04T14:45:54.568368Z","structure_string":"Lu4 Cd2 Se8\n1.0\n0.000000 5.821453 5.821453\n5.821453 0.000000 5.821453\n5.821453 5.821453 0.000000\nLu Cd Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Lu\n0.625000 0.125000 0.625000 Lu\n0.625000 0.625000 0.125000 Lu\n0.625000 0.625000 0.625000 Lu\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.850715 0.383095 0.383095 Se\n0.383095 0.850715 0.383095 Se\n0.383095 0.383095 0.850715 Se\n0.383095 0.383095 0.383095 Se\n0.399285 0.866905 0.866905 Se\n0.866905 0.399285 0.866905 Se\n0.866905 0.866905 0.399285 Se\n0.866905 0.866905 0.866905 Se\n","nsites":14,"nelements":3,"elements":["Lu","Cd","Se"],"chemical_system":"Cd-Lu-Se","density":6.549946704238874,"density_atomic":0.03548165375320661,"volume":394.57010931275346,"volume_molar":16.972548128357058,"formula_full":"Lu4 Cd2 Se8","formula_reduced":"Lu2CdSe4","formula_anonymous":"AB2C4","energy":-72.60116617,"energy_per_atom":-5.1857975835714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.82516617,"band_gap":0.7033000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000187,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.287000Z","spacegroup":227}]}