{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=2","previous":null,"results":[{"id":"mp-1","created_at":"2022-09-04T14:46:54.536581Z","structure_string":"Cs1\n1.0\n-3.055020 3.055020 3.055020\n3.055020 -3.055020 3.055020\n3.055020 3.055020 -3.055020\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n","nsites":1,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9350390306525629,"density_atomic":0.00876794537479071,"volume":114.05180544066401,"volume_molar":68.68360262958124,"formula_full":"Cs1","formula_reduced":"Cs","formula_anonymous":"A","energy":-0.85663276,"energy_per_atom":-0.85663276,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.85663276,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023078,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.081000Z","spacegroup":229},{"id":"mp-10","created_at":"2022-09-04T14:47:27.019791Z","structure_string":"As1\n1.0\n2.737511 0.000000 0.000000\n0.000000 2.737511 0.000000\n0.000000 0.000000 2.737511\nAs\n1\ndirect\n0.500000 0.500000 0.500000 As\n","nsites":1,"nelements":1,"elements":["As"],"chemical_system":"As","density":6.064409536915891,"density_atomic":0.048745258870892635,"volume":20.514815659274962,"volume_molar":12.354310756560603,"formula_full":"As1","formula_reduced":"As","formula_anonymous":"A","energy":-4.5467212,"energy_per_atom":-4.5467212,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.5467212,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000195,"is_theoretical":true,"updated_at":"2021-11-28T01:38:10.306000Z","spacegroup":221},{"id":"mp-100","created_at":"2022-09-04T14:46:52.894682Z","structure_string":"Hf1\n1.0\n-1.770814 1.770814 1.770814\n1.770814 -1.770814 1.770814\n1.770814 1.770814 -1.770814\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n","nsites":1,"nelements":1,"elements":["Hf"],"chemical_system":"Hf","density":13.343942293271844,"density_atomic":0.04502162519534463,"volume":22.21154824289646,"volume_molar":13.376107001625314,"formula_full":"Hf1","formula_reduced":"Hf","formula_anonymous":"A","energy":-9.78103403,"energy_per_atom":-9.78103403,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.78103403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00108,"is_theoretical":false,"updated_at":"2021-11-28T01:37:44.771000Z","spacegroup":229},{"id":"mp-1000","created_at":"2022-09-04T14:45:08.092753Z","structure_string":"Ba1 Te1\n1.0\n0.000000 3.544879 3.544879\n3.544879 0.000000 3.544879\n3.544879 3.544879 0.000000\nBa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Te\n","nsites":2,"nelements":2,"elements":["Ba","Te"],"chemical_system":"Ba-Te","density":4.937886195039478,"density_atomic":0.022448935543500585,"volume":89.09108390126052,"volume_molar":26.825952385718036,"formula_full":"Ba1 Te1","formula_reduced":"BaTe","formula_anonymous":"AB","energy":-9.06937847,"energy_per_atom":-4.534689235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.64737847,"band_gap":1.593,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001477,"is_theoretical":false,"updated_at":"2021-11-28T01:36:50.864000Z","spacegroup":225},{"id":"mp-10000","created_at":"2022-09-04T14:43:03.057723Z","structure_string":"Hf4 S2\n1.0\n1.693339 -2.932950 0.000000\n1.693339 2.932950 0.000000\n0.000000 0.000000 11.787358\nHf S\n4 2\ndirect\n0.666667 0.333333 0.899523 Hf\n0.333333 0.666667 0.399523 Hf\n0.666667 0.333333 0.600477 Hf\n0.333333 0.666667 0.100477 Hf\n0.000000 0.000000 0.750000 S\n0.000000 0.000000 0.250000 S\n","nsites":6,"nelements":2,"elements":["Hf","S"],"chemical_system":"Hf-S","density":11.035293578624938,"density_atomic":0.05124555612952432,"volume":117.08332298775063,"volume_molar":11.75153752801297,"formula_full":"Hf4 S2","formula_reduced":"Hf2S","formula_anonymous":"AB2","energy":-55.27696078,"energy_per_atom":-9.212826796666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.27096078000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0171909,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.876000Z","spacegroup":194},{"id":"mp-10003","created_at":"2022-09-04T14:39:46.756925Z","structure_string":"Nb8 Co2 Si2\n1.0\n6.228505 0.000000 0.000000\n0.000000 6.228505 0.000000\n0.000000 0.000000 5.023228\nNb Co Si\n8 2 2\ndirect\n0.333337 0.152451 0.500000 Nb\n0.666663 0.847549 0.500000 Nb\n0.152451 0.666663 0.500000 Nb\n0.847549 0.333337 0.500000 Nb\n0.333337 0.847549 0.000000 Nb\n0.847549 0.666663 0.000000 Nb\n0.152451 0.333337 0.000000 Nb\n0.666663 0.152451 0.000000 Nb\n0.000000 0.000000 0.750000 Co\n0.000000 0.000000 0.250000 Co\n0.500000 0.500000 0.750000 Si\n0.500000 0.500000 0.250000 Si\n","nsites":12,"nelements":3,"elements":["Nb","Co","Si"],"chemical_system":"Co-Nb-Si","density":7.816358809618785,"density_atomic":0.061578728948045926,"volume":194.87248608402456,"volume_molar":9.779579512076142,"formula_full":"Nb8 Co2 Si2","formula_reduced":"Nb4CoSi","formula_anonymous":"ABC4","energy":-109.96813253,"energy_per_atom":-9.164011044166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.11013253000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001486,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.140000Z","spacegroup":124},{"id":"mp-10004","created_at":"2022-09-04T14:46:23.058326Z","structure_string":"Mo12 P4\n1.0\n-4.927503 4.927503 2.424809\n4.927503 -4.927503 2.424809\n4.927503 4.927503 -2.424809\nMo P\n12 4\ndirect\n0.931622 0.931622 0.401971 Mo\n0.068378 0.470349 0.000000 Mo\n0.470349 0.068378 0.000000 Mo\n0.529651 0.529651 0.598029 Mo\n0.000000 0.354763 0.354763 Mo\n0.645237 0.000000 0.645237 Mo\n0.354763 0.000000 0.354763 Mo\n0.000000 0.645237 0.645237 Mo\n0.139259 0.139259 0.814585 Mo\n0.860741 0.675326 0.000000 Mo\n0.675326 0.860741 0.000000 Mo\n0.324674 0.324674 0.185415 Mo\n0.500000 0.208392 0.708392 P\n0.791608 0.500000 0.291608 P\n0.208392 0.500000 0.708392 P\n0.500000 0.791608 0.291608 P\n","nsites":16,"nelements":2,"elements":["Mo","P"],"chemical_system":"Mo-P","density":8.991405458440736,"density_atomic":0.06794048789408202,"volume":235.50022226722461,"volume_molar":8.863846796903207,"formula_full":"Mo12 P4","formula_reduced":"Mo3P","formula_anonymous":"AB3","energy":-157.39954316,"energy_per_atom":-9.8374714475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.39954316,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004171,"is_theoretical":false,"updated_at":"2021-11-28T01:37:32.080000Z","spacegroup":121},{"id":"mp-10006","created_at":"2022-09-04T14:46:04.358579Z","structure_string":"Tl1 Ag1 Te2\n1.0\n-1.784595 1.784595 9.505182\n1.784595 -1.784595 9.505182\n1.784595 1.784595 -9.505182\nTl Ag Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Ag\n0.365269 0.365269 0.000000 Te\n0.634731 0.634731 0.000000 Te\n","nsites":4,"nelements":3,"elements":["Tl","Ag","Te"],"chemical_system":"Ag-Te-Tl","density":7.781764325671806,"density_atomic":0.033033928113001314,"volume":121.0876280385711,"volume_molar":18.23016850856995,"formula_full":"Tl1 Ag1 Te2","formula_reduced":"TlAgTe2","formula_anonymous":"ABC2","energy":-12.5512844,"energy_per_atom":-3.1378211,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.7072844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.16e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:21.429000Z","spacegroup":119},{"id":"mp-10008","created_at":"2022-09-04T14:39:20.333463Z","structure_string":"Ca7 Ge1\n1.0\n0.000000 5.262097 5.262097\n5.262097 0.000000 5.262097\n5.262097 5.262097 0.000000\nCa Ge\n7 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ge\n","nsites":8,"nelements":2,"elements":["Ca","Ge"],"chemical_system":"Ca-Ge","density":2.0125470095934275,"density_atomic":0.02745259751423227,"volume":291.41140454387073,"volume_molar":21.936506215406165,"formula_full":"Ca7 Ge1","formula_reduced":"Ca7Ge","formula_anonymous":"AB7","energy":-18.71576846,"energy_per_atom":-2.3394710575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.71576846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0666447,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.909000Z","spacegroup":225},{"id":"mp-10009","created_at":"2022-09-04T14:42:52.044573Z","structure_string":"Ga4 Te4\n1.0\n2.067300 -3.580668 0.000000\n2.067300 3.580668 0.000000\n0.000000 0.000000 18.425570\nGa Te\n4 4\ndirect\n0.333333 0.666667 0.182959 Ga\n0.666667 0.333333 0.682959 Ga\n0.666667 0.333333 0.817041 Ga\n0.333333 0.666667 0.317041 Ga\n0.333333 0.666667 0.886204 Te\n0.666667 0.333333 0.386204 Te\n0.666667 0.333333 0.113796 Te\n0.333333 0.666667 0.613796 Te\n","nsites":8,"nelements":2,"elements":["Ga","Te"],"chemical_system":"Ga-Te","density":4.8047225174667245,"density_atomic":0.029327260707495226,"volume":272.7837447823903,"volume_molar":20.53427635149337,"formula_full":"Ga4 Te4","formula_reduced":"GaTe","formula_anonymous":"AB","energy":-29.28632664,"energy_per_atom":-3.66079083,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.59832664,"band_gap":0.7852999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0160255,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.223000Z","spacegroup":194},{"id":"mp-1001","created_at":"2022-09-04T14:48:24.565696Z","structure_string":"Ba2 N4\n1.0\n2.241948 3.630472 0.000000\n-2.241948 3.630472 0.000000\n0.000000 1.908700 7.085194\nBa N\n2 4\ndirect\n0.211549 0.788451 0.250000 Ba\n0.788451 0.211549 0.750000 Ba\n0.445011 0.148499 0.454080 N\n0.851501 0.554989 0.045920 N\n0.148499 0.445011 0.954080 N\n0.554989 0.851501 0.545920 N\n","nsites":6,"nelements":2,"elements":["Ba","N"],"chemical_system":"Ba-N","density":4.760885188432094,"density_atomic":0.05202126175486182,"volume":115.33745621691405,"volume_molar":11.576306603976558,"formula_full":"Ba2 N4","formula_reduced":"BaN2","formula_anonymous":"AB2","energy":-41.70128227,"energy_per_atom":-6.950213711666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.25728227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032015,"is_theoretical":false,"updated_at":"2021-11-28T01:39:14.782000Z","spacegroup":15},{"id":"mp-10010","created_at":"2022-09-04T14:47:31.940558Z","structure_string":"Al1 Co2 Si2\n1.0\n1.965176 -3.403784 0.000000\n1.965176 3.403784 0.000000\n0.000000 0.000000 4.631252\nAl Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.162700 Co\n0.333333 0.666667 0.837300 Co\n0.333333 0.666667 0.347859 Si\n0.666667 0.333333 0.652141 Si\n","nsites":5,"nelements":3,"elements":["Al","Co","Si"],"chemical_system":"Al-Co-Si","density":5.387585789899458,"density_atomic":0.08070085792548233,"volume":61.9572099793153,"volume_molar":7.462300791846269,"formula_full":"Al1 Co2 Si2","formula_reduced":"Al(CoSi)2","formula_anonymous":"AB2C2","energy":-31.36543369,"energy_per_atom":-6.273086738,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.50743369,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0079816,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.946000Z","spacegroup":164}]}