{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=12116","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=12114","results":[{"id":"mp-985301","created_at":"2022-09-04T14:43:57.927640Z","structure_string":"Ac1 Dy3\n1.0\n-2.601214 2.601214 5.132051\n2.601214 -2.601214 5.132051\n2.601214 2.601214 -5.132051\nAc Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n","nsites":4,"nelements":2,"elements":["Ac","Dy"],"chemical_system":"Ac-Dy","density":8.541776627818674,"density_atomic":0.02879763818669205,"volume":138.90027974059615,"volume_molar":20.911925905031154,"formula_full":"Ac1 Dy3","formula_reduced":"AcDy3","formula_anonymous":"AB3","energy":-17.65656049,"energy_per_atom":-4.4141401225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.65656049,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004243,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.184000Z","spacegroup":139},{"id":"mp-985302","created_at":"2022-09-04T14:40:55.621162Z","structure_string":"Ac6 Pr2\n1.0\n3.946111 -6.834865 0.000000\n3.946111 6.834865 0.000000\n0.000000 0.000000 6.369217\nAc Pr\n6 2\ndirect\n0.168164 0.336328 0.250000 Ac\n0.663672 0.831836 0.250000 Ac\n0.168164 0.831836 0.250000 Ac\n0.831836 0.663672 0.750000 Ac\n0.336328 0.168164 0.750000 Ac\n0.831836 0.168164 0.750000 Ac\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n","nsites":8,"nelements":2,"elements":["Ac","Pr"],"chemical_system":"Ac-Pr","density":7.944870748957085,"density_atomic":0.02328491770906887,"volume":343.57003533167773,"volume_molar":25.86283892106921,"formula_full":"Ac6 Pr2","formula_reduced":"Ac3Pr","formula_anonymous":"AB3","energy":-33.96313986,"energy_per_atom":-4.2453924825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.96313986,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1332511,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.761000Z","spacegroup":194},{"id":"mp-985303","created_at":"2022-09-04T14:47:37.858771Z","structure_string":"Ac6 Th2\n1.0\n3.889748 -6.737241 0.000000\n3.889748 6.737241 0.000000\n0.000000 0.000000 6.322327\nAc Th\n6 2\ndirect\n0.170661 0.341323 0.250000 Ac\n0.658677 0.829339 0.250000 Ac\n0.170661 0.829339 0.250000 Ac\n0.829339 0.658677 0.750000 Ac\n0.341323 0.170661 0.750000 Ac\n0.829339 0.170661 0.750000 Ac\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n","nsites":8,"nelements":2,"elements":["Ac","Th"],"chemical_system":"Ac-Th","density":9.150766538413295,"density_atomic":0.024142347001511275,"volume":331.3679485883958,"volume_molar":24.944305371897034,"formula_full":"Ac6 Th2","formula_reduced":"Ac3Th","formula_anonymous":"AB3","energy":-38.51714352,"energy_per_atom":-4.81464294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.51714352,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1694944,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.194000Z","spacegroup":194},{"id":"mp-985304","created_at":"2022-09-04T14:41:56.792475Z","structure_string":"Cr1 Ga2 S4\n1.0\n1.850064 -3.204405 0.000000\n1.850064 3.204405 0.000000\n0.000000 0.000000 12.089478\nCr Ga S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.707337 Ga\n0.666667 0.333333 0.292663 Ga\n0.333333 0.666667 0.896344 S\n0.666667 0.333333 0.103656 S\n0.333333 0.666667 0.375324 S\n0.666667 0.333333 0.624676 S\n","nsites":7,"nelements":3,"elements":["Cr","Ga","S"],"chemical_system":"Cr-Ga-S","density":3.703589877349098,"density_atomic":0.048834454626636874,"volume":143.34141854390307,"volume_molar":12.331745702992265,"formula_full":"Cr1 Ga2 S4","formula_reduced":"Cr(GaS2)2","formula_anonymous":"AB2C4","energy":-38.49752785,"energy_per_atom":-5.499646835714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.48552785,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.6823209,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.086000Z","spacegroup":164},{"id":"mp-985305","created_at":"2022-09-04T14:45:01.034407Z","structure_string":"Ac6 In2\n1.0\n3.859168 -6.684275 0.000000\n3.859168 6.684275 0.000000\n0.000000 0.000000 6.028339\nAc In\n6 2\ndirect\n0.175039 0.350078 0.250000 Ac\n0.649922 0.824961 0.250000 Ac\n0.175039 0.824961 0.250000 Ac\n0.824961 0.649922 0.750000 Ac\n0.350078 0.175039 0.750000 Ac\n0.824961 0.175039 0.750000 Ac\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n","nsites":8,"nelements":2,"elements":["Ac","In"],"chemical_system":"Ac-In","density":8.498009156620222,"density_atomic":0.02572256839559862,"volume":311.0109331605034,"volume_molar":23.411895217393788,"formula_full":"Ac6 In2","formula_reduced":"Ac3In","formula_anonymous":"AB3","energy":-31.51158554,"energy_per_atom":-3.9389481925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.51158554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0531801,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.001000Z","spacegroup":194},{"id":"mp-9854","created_at":"2022-09-04T14:41:25.570046Z","structure_string":"Y2 P10\n1.0\n9.438154 0.000000 0.000000\n0.000000 4.958788 0.000000\n0.000000 1.126724 5.245526\nY P\n2 10\ndirect\n0.250000 0.996525 0.346372 Y\n0.750000 0.003475 0.653628 Y\n0.250000 0.723315 0.892227 P\n0.750000 0.276685 0.107773 P\n0.407483 0.384059 0.954821 P\n0.907483 0.615941 0.045179 P\n0.592517 0.615941 0.045179 P\n0.092517 0.384059 0.954821 P\n0.471628 0.286070 0.594943 P\n0.971628 0.713930 0.405057 P\n0.528372 0.713930 0.405057 P\n0.028372 0.286070 0.594943 P\n","nsites":12,"nelements":2,"elements":["Y","P"],"chemical_system":"P-Y","density":3.297736928865286,"density_atomic":0.04887982036017983,"volume":245.50008391143467,"volume_molar":12.32030051588726,"formula_full":"Y2 P10","formula_reduced":"YP5","formula_anonymous":"AB5","energy":-73.53994031,"energy_per_atom":-6.128328359166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.53994031,"band_gap":0.1371000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.412000Z","spacegroup":11},{"id":"mp-985437","created_at":"2022-09-04T14:40:18.344136Z","structure_string":"Er2 Lu6\n1.0\n3.537314 -6.126808 0.000000\n3.537314 6.126808 0.000000\n0.000000 0.000000 5.505976\nEr Lu\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.166302 0.332604 0.250000 Lu\n0.667396 0.833698 0.250000 Lu\n0.166302 0.833698 0.250000 Lu\n0.833698 0.667396 0.750000 Lu\n0.332604 0.166302 0.750000 Lu\n0.833698 0.166302 0.750000 Lu\n","nsites":8,"nelements":2,"elements":["Er","Lu"],"chemical_system":"Er-Lu","density":9.631931770125544,"density_atomic":0.033521063875668757,"volume":238.6559098980983,"volume_molar":17.965243532652817,"formula_full":"Er2 Lu6","formula_reduced":"ErLu3","formula_anonymous":"AB3","energy":-36.24441221,"energy_per_atom":-4.53055152625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.24441221,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1965524,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.626000Z","spacegroup":194},{"id":"mp-985438","created_at":"2022-09-04T14:44:20.417036Z","structure_string":"Ce2 Cd1 Hg1\n1.0\n0.000000 3.850577 3.850577\n3.850577 0.000000 3.850577\n3.850577 3.850577 0.000000\nCe Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Ce","Cd","Hg"],"chemical_system":"Cd-Ce-Hg","density":8.627142394194433,"density_atomic":0.03503100189797696,"volume":114.18457318604409,"volume_molar":17.19088930867198,"formula_full":"Ce2 Cd1 Hg1","formula_reduced":"Ce2CdHg","formula_anonymous":"ABC2","energy":-13.86470902,"energy_per_atom":-3.466177255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.86470902,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6434727,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.939000Z","spacegroup":225},{"id":"mp-985439","created_at":"2022-09-04T14:46:27.889474Z","structure_string":"Ba2 P2 Au2\n1.0\n2.234647 -3.870522 0.000000\n2.234647 3.870522 0.000000\n0.000000 0.000000 9.184022\nBa P Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n","nsites":6,"nelements":3,"elements":["Ba","P","Au"],"chemical_system":"Au-Ba-P","density":7.635694500694748,"density_atomic":0.037766772331002015,"volume":158.86981146849863,"volume_molar":15.945606119632684,"formula_full":"Ba2 P2 Au2","formula_reduced":"BaPAu","formula_anonymous":"ABC","energy":-26.46714105,"energy_per_atom":-4.411190175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.46714105,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023169,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.552000Z","spacegroup":194},{"id":"mp-985440","created_at":"2022-09-04T14:46:57.972538Z","structure_string":"Cr1 Ga3 P4\n1.0\n5.491184 0.000000 0.000000\n0.000000 5.491184 0.000000\n0.000000 0.000000 5.491184\nCr Ga P\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.246277 0.246277 0.246277 P\n0.753723 0.753723 0.246277 P\n0.246277 0.753723 0.753723 P\n0.753723 0.246277 0.753723 P\n","nsites":8,"nelements":3,"elements":["Cr","Ga","P"],"chemical_system":"Cr-Ga-P","density":3.8617102213590386,"density_atomic":0.04831611405372769,"volume":165.57622972542808,"volume_molar":12.4640420239578,"formula_full":"Cr1 Ga3 P4","formula_reduced":"CrGa3P4","formula_anonymous":"AB3C4","energy":-42.22752998,"energy_per_atom":-5.2784412475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.22752998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0031502,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.679000Z","spacegroup":215},{"id":"mp-985442","created_at":"2022-09-04T14:40:24.228257Z","structure_string":"Ag4 As4 Se4\n1.0\n4.056373 0.000000 0.000000\n0.000000 6.266141 0.000000\n0.000000 0.000000 12.528663\nAg As Se\n4 4 4\ndirect\n0.250000 0.921829 0.841924 Ag\n0.250000 0.578171 0.341924 Ag\n0.750000 0.421829 0.658076 Ag\n0.750000 0.078171 0.158076 Ag\n0.250000 0.871317 0.489360 As\n0.250000 0.628683 0.989360 As\n0.750000 0.371317 0.010640 As\n0.750000 0.128683 0.510640 As\n0.250000 0.801643 0.160039 Se\n0.250000 0.698357 0.660039 Se\n0.750000 0.301643 0.339961 Se\n0.750000 0.198357 0.839961 Se\n","nsites":12,"nelements":3,"elements":["Ag","As","Se"],"chemical_system":"Ag-As-Se","density":5.4594975231247815,"density_atomic":0.03768239277488351,"volume":318.45111513190255,"volume_molar":15.981312004194027,"formula_full":"Ag4 As4 Se4","formula_reduced":"AgAsSe","formula_anonymous":"ABC","energy":-46.6632016,"energy_per_atom":-3.8886001333333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.7752016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.039000Z","spacegroup":62},{"id":"mp-985443","created_at":"2022-09-04T14:45:18.857291Z","structure_string":"Ag3 Hg1\n1.0\n4.245293 0.000000 0.000000\n0.000000 4.245293 0.000000\n0.000000 0.000000 4.245293\nAg Hg\n3 1\ndirect\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":2,"elements":["Ag","Hg"],"chemical_system":"Ag-Hg","density":11.376760916596703,"density_atomic":0.05228016897258263,"volume":76.51084682028718,"volume_molar":11.518977230464198,"formula_full":"Ag3 Hg1","formula_reduced":"Ag3Hg","formula_anonymous":"AB3","energy":-8.71660373,"energy_per_atom":-2.1791509325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.71660373,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007134,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.380000Z","spacegroup":221}]}