{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10223","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10221","results":[{"id":"mp-5634","created_at":"2022-09-04T14:41:55.419984Z","structure_string":"Nd2 O2 F2\n1.0\n6.735563 -1.993713 0.000000\n6.735563 1.993713 0.000000\n6.145428 0.000000 3.402414\nNd O F\n2 2 2\ndirect\n0.258461 0.258461 0.258461 Nd\n0.741539 0.741539 0.741539 Nd\n0.378026 0.378026 0.378026 O\n0.621974 0.621974 0.621974 O\n0.130044 0.130044 0.130044 F\n0.869956 0.869956 0.869956 F\n","nsites":6,"nelements":3,"elements":["Nd","O","F"],"chemical_system":"F-Nd-O","density":6.514181515444318,"density_atomic":0.06565949750343056,"volume":91.38053485234964,"volume_molar":9.171774060082257,"formula_full":"Nd2 O2 F2","formula_reduced":"NdOF","formula_anonymous":"ABC","energy":-48.20313912,"energy_per_atom":-8.03385652,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.90513912,"band_gap":4.5028,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.14e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.140000Z","spacegroup":166},{"id":"mp-570182","created_at":"2022-09-04T14:41:47.041633Z","structure_string":"Ca3 Si1 Br2\n1.0\n11.769829 -2.088544 0.000000\n11.769829 2.088544 0.000000\n11.399219 0.000000 3.598430\nCa Si Br\n3 1 2\ndirect\n0.451197 0.451197 0.451197 Ca\n0.573289 0.573289 0.573289 Ca\n0.998790 0.998790 0.998790 Ca\n0.285968 0.285968 0.285968 Si\n0.840967 0.840967 0.840967 Br\n0.728789 0.728789 0.728789 Br\n","nsites":6,"nelements":3,"elements":["Ca","Si","Br"],"chemical_system":"Br-Ca-Si","density":2.8921627016981644,"density_atomic":0.03391520243366889,"volume":176.91181445060684,"volume_molar":17.75646414547594,"formula_full":"Ca3 Si1 Br2","formula_reduced":"Ca3SiBr2","formula_anonymous":"AB2C3","energy":-21.97125888,"energy_per_atom":-3.66187648,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.97425888,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3648463,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.889000Z","spacegroup":160},{"id":"mp-1206306","created_at":"2022-09-04T14:41:49.209780Z","structure_string":"La1 Zn2 As1 O2\n1.0\n3.666697 0.000000 0.000000\n0.000000 3.666697 0.000000\n0.000000 0.000000 12.358361\nLa Zn As O\n1 2 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.500000 0.500000 0.183218 Zn\n0.500000 0.500000 0.816782 Zn\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.672780 O\n0.500000 0.500000 0.327220 O\n","nsites":6,"nelements":4,"elements":["La","Zn","As","O"],"chemical_system":"As-La-O-Zn","density":3.7641686845121414,"density_atomic":0.0361110674712691,"volume":166.15404694900687,"volume_molar":16.676717642842796,"formula_full":"La1 Zn2 As1 O2","formula_reduced":"LaZn2AsO2","formula_anonymous":"ABC2D2","energy":-27.13596604,"energy_per_atom":-4.522661006666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.76196604,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2030433,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.674000Z","spacegroup":123},{"id":"mp-1185748","created_at":"2022-09-04T14:42:00.144611Z","structure_string":"Mg4 Ag2\n1.0\n1.639707 -7.444659 0.000000\n1.639707 7.444659 0.000000\n0.000000 0.000000 4.869588\nMg Ag\n4 2\ndirect\n0.261743 0.738257 0.250000 Mg\n0.937640 0.062360 0.250000 Mg\n0.738257 0.261743 0.750000 Mg\n0.062360 0.937640 0.750000 Mg\n0.604774 0.395226 0.250000 Ag\n0.395226 0.604774 0.750000 Ag\n","nsites":6,"nelements":2,"elements":["Mg","Ag"],"chemical_system":"Ag-Mg","density":4.371189758145535,"density_atomic":0.050468218617008155,"volume":118.88670066864529,"volume_molar":11.932540765309467,"formula_full":"Mg4 Ag2","formula_reduced":"Mg2Ag","formula_anonymous":"AB2","energy":-12.96477895,"energy_per_atom":-2.1607964916666664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.96477895,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033471,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.407000Z","spacegroup":63},{"id":"mp-10454","created_at":"2022-09-04T14:41:36.036221Z","structure_string":"Sm2 Ti2 Ge2\n1.0\n-2.051807 2.051807 7.912760\n2.051807 -2.051807 7.912760\n2.051807 2.051807 -7.912760\nSm Ti Ge\n2 2 2\ndirect\n0.673888 0.673888 0.000000 Sm\n0.326112 0.326112 0.000000 Sm\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.118501 0.118501 0.000000 Ge\n0.881499 0.881499 0.000000 Ge\n","nsites":6,"nelements":3,"elements":["Sm","Ti","Ge"],"chemical_system":"Ge-Sm-Ti","density":6.751094572127874,"density_atomic":0.04502878735114564,"volume":133.24809200857473,"volume_molar":13.373979434617802,"formula_full":"Sm2 Ti2 Ge2","formula_reduced":"SmTiGe","formula_anonymous":"ABC","energy":-38.19427273,"energy_per_atom":-6.365712121666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.19427273,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3378907,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.560000Z","spacegroup":139},{"id":"mp-1217354","created_at":"2022-09-04T14:41:48.281286Z","structure_string":"Th1 U1 Sb4\n1.0\n4.365264 0.000000 0.000000\n0.000000 4.365264 0.000000\n0.000000 0.000000 8.940909\nTh U Sb\n1 1 4\ndirect\n0.500000 0.500000 0.723348 Th\n0.000000 0.000000 0.279482 U\n0.500000 0.000000 0.009237 Sb\n0.000000 0.500000 0.009237 Sb\n0.500000 0.500000 0.351620 Sb\n0.000000 0.000000 0.627076 Sb\n","nsites":6,"nelements":3,"elements":["Th","U","Sb"],"chemical_system":"Sb-Th-U","density":9.328393850999316,"density_atomic":0.03521669110079716,"volume":170.37375779646106,"volume_molar":17.1002458543406,"formula_full":"Th1 U1 Sb4","formula_reduced":"ThUSb4","formula_anonymous":"ABC4","energy":-39.0642146,"energy_per_atom":-6.510702433333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.2962146,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9085732,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.324000Z","spacegroup":99},{"id":"mp-1076977","created_at":"2022-09-04T14:41:47.518755Z","structure_string":"Dy2 Al2 Ge2\n1.0\n2.045087 -5.218013 0.000000\n2.045087 5.218013 0.000000\n0.000000 0.000000 5.751232\nDy Al Ge\n2 2 2\ndirect\n0.689348 0.310652 0.250000 Dy\n0.310652 0.689348 0.750000 Dy\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.393594 0.606406 0.250000 Ge\n0.606406 0.393594 0.750000 Ge\n","nsites":6,"nelements":3,"elements":["Dy","Al","Ge"],"chemical_system":"Al-Dy-Ge","density":7.092085687109485,"density_atomic":0.04888137602040705,"volume":122.74613540942697,"volume_molar":12.319908419693158,"formula_full":"Dy2 Al2 Ge2","formula_reduced":"DyAlGe","formula_anonymous":"ABC","energy":-29.88173706,"energy_per_atom":-4.9802895099999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.88173706,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058962,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.738000Z","spacegroup":63},{"id":"mp-5365","created_at":"2022-09-04T14:41:47.432128Z","structure_string":"Dy2 Cu2 Si2\n1.0\n2.073593 -3.591569 0.000000\n2.073593 3.591569 0.000000\n0.000000 0.000000 7.471693\nDy Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n","nsites":6,"nelements":3,"elements":["Dy","Cu","Si"],"chemical_system":"Cu-Dy-Si","density":7.58369478098114,"density_atomic":0.053913124663091824,"volume":111.29015499462446,"volume_molar":11.170082976330761,"formula_full":"Dy2 Cu2 Si2","formula_reduced":"DyCuSi","formula_anonymous":"ABC","energy":-32.14001866,"energy_per_atom":-5.356669776666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.28201866,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001154,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.890000Z","spacegroup":194},{"id":"mp-34337","created_at":"2022-09-04T14:41:46.961491Z","structure_string":"H4 N1 Cl1\n1.0\n3.877115 0.000000 0.000000\n0.000000 3.877115 0.000000\n0.000000 0.000000 3.877115\nH N Cl\n4 1 1\ndirect\n0.155153 0.155153 0.844847 H\n0.155153 0.844847 0.155153 H\n0.844847 0.155153 0.155153 H\n0.844847 0.844847 0.844847 H\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 Cl\n","nsites":6,"nelements":3,"elements":["H","N","Cl"],"chemical_system":"Cl-H-N","density":1.5240790751255149,"density_atomic":0.10294972755966945,"volume":58.28087302632649,"volume_molar":5.849593683003756,"formula_full":"H4 N1 Cl1","formula_reduced":"H4NCl","formula_anonymous":"ABC4","energy":-28.33227497,"energy_per_atom":-4.722045828333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.35727497,"band_gap":4.9364,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.386000Z","spacegroup":215},{"id":"mp-1206751","created_at":"2022-09-04T14:41:51.509971Z","structure_string":"Dy2 Se2 I2\n1.0\n11.014003 -0.000000 0.000000\n0.000000 14.700510 0.000000\n0.000000 0.000000 42.842302\nDy Se I\n2 2 2\ndirect\n0.500000 0.500000 0.114046 Dy\n0.500000 0.500000 0.885954 Dy\n0.500000 0.500000 0.670420 Se\n0.500000 0.500000 0.329580 Se\n0.500000 0.500000 0.049529 I\n0.500000 0.500000 0.950471 I\n","nsites":6,"nelements":3,"elements":["Dy","Se","I"],"chemical_system":"Dy-I-Se","density":0.17636257734799307,"density_atomic":0.0008649696312619679,"volume":6936.6597197709225,"volume_molar":696.2256872780441,"formula_full":"Dy2 Se2 I2","formula_reduced":"DySeI","formula_anonymous":"ABC","energy":-12.98775123,"energy_per_atom":-2.164625205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.28575123,"band_gap":0.0743,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.7393021,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.612000Z","spacegroup":47},{"id":"mp-8146","created_at":"2022-09-04T14:41:48.448937Z","structure_string":"Sr1 Pu1 O4\n1.0\n6.263108 -1.975541 0.000000\n6.263108 1.975541 0.000000\n5.639973 0.000000 3.364519\nSr Pu O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Pu\n0.640328 0.640328 0.640328 O\n0.359672 0.359672 0.359672 O\n0.106437 0.106437 0.106437 O\n0.893563 0.893563 0.893563 O\n","nsites":6,"nelements":3,"elements":["Sr","Pu","O"],"chemical_system":"O-Pu-Sr","density":7.890340997728679,"density_atomic":0.07206465660143793,"volume":83.25856644518139,"volume_molar":8.356580110144918,"formula_full":"Sr1 Pu1 O4","formula_reduced":"SrPuO4","formula_anonymous":"ABC4","energy":-55.05746527999999,"energy_per_atom":-9.176244213333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.30946528,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0016519,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.773000Z","spacegroup":166},{"id":"mp-1039208","created_at":"2022-09-04T14:41:32.279812Z","structure_string":"Ca4 Zn2\n1.0\n7.458488 0.000000 0.000000\n0.000000 7.458488 0.000000\n0.000000 0.000000 3.948378\nCa Zn\n4 2\ndirect\n0.282156 0.282156 0.000000 Ca\n0.717844 0.717844 0.000000 Ca\n0.217844 0.782156 0.500000 Ca\n0.782156 0.217844 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n","nsites":6,"nelements":2,"elements":["Ca","Zn"],"chemical_system":"Ca-Zn","density":2.200978214057103,"density_atomic":0.027316870029181036,"volume":219.64449051412356,"volume_molar":22.045500650575608,"formula_full":"Ca4 Zn2","formula_reduced":"Ca2Zn","formula_anonymous":"AB2","energy":-10.63778266,"energy_per_atom":-1.7729637766666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.63778266,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006167,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.150000Z","spacegroup":136}]}