{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=43","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=41","results":[{"id":"mp-1186447","created_at":"2022-09-04T14:47:09.555602Z","structure_string":"Pd2 Au6\n1.0\n2.888683 -5.003346 0.000000\n2.888683 5.003346 0.000000\n0.000000 0.000000 4.821428\nPd Au\n2 6\ndirect\n0.666667 0.333333 0.250000 Pd\n0.333333 0.666667 0.750000 Pd\n0.832009 0.167991 0.750000 Au\n0.335981 0.167991 0.750000 Au\n0.832009 0.664019 0.750000 Au\n0.167991 0.832009 0.250000 Au\n0.664019 0.832009 0.250000 Au\n0.167991 0.335981 0.250000 Au\n","nsites":8,"nelements":2,"elements":["Pd","Au"],"chemical_system":"Au-Pd","density":16.616705703314803,"density_atomic":0.05740158480703197,"volume":139.36897433918867,"volume_molar":10.491244763092777,"formula_full":"Pd2 Au6","formula_reduced":"PdAu3","formula_anonymous":"AB3","energy":-30.55575759,"energy_per_atom":-3.81946969875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.55575759,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006537,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.531000Z","spacegroup":194},{"id":"mp-1187668","created_at":"2022-09-04T14:48:16.931645Z","structure_string":"U3 Ge1\n1.0\n-2.162013 2.162013 4.206507\n2.162013 -2.162013 4.206507\n2.162013 2.162013 -4.206507\nU Ge\n3 1\ndirect\n0.750000 0.250000 0.500000 U\n0.250000 0.750000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":2,"elements":["U","Ge"],"chemical_system":"Ge-U","density":16.610197420260306,"density_atomic":0.05085829329874901,"volume":78.64990625036154,"volume_molar":11.841020155012027,"formula_full":"U3 Ge1","formula_reduced":"U3Ge","formula_anonymous":"AB3","energy":-39.06040756,"energy_per_atom":-9.76510189,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.06040756,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005587,"is_theoretical":true,"updated_at":"2021-11-28T01:38:43.717000Z","spacegroup":139},{"id":"mp-973834","created_at":"2022-09-04T14:46:29.195546Z","structure_string":"Pd1 Au3\n1.0\n4.115718 0.000000 0.000000\n0.000000 4.115718 0.000000\n0.000000 0.000000 4.115718\nPd Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n","nsites":4,"nelements":2,"elements":["Pd","Au"],"chemical_system":"Au-Pd","density":16.60902756482378,"density_atomic":0.057375061058846134,"volume":69.71670140616393,"volume_molar":10.496094729770228,"formula_full":"Pd1 Au3","formula_reduced":"PdAu3","formula_anonymous":"AB3","energy":-15.31655899,"energy_per_atom":-3.8291397475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.31655899,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007489,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.788000Z","spacegroup":221},{"id":"mp-1225742","created_at":"2022-09-04T14:46:19.658720Z","structure_string":"Cu1 Au4\n1.0\n11.477436 -1.465205 0.000000\n11.477436 1.465205 0.000000\n11.290388 0.000000 2.530907\nCu Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.606225 0.606225 0.606225 Au\n0.201897 0.201897 0.201897 Au\n0.798103 0.798103 0.798103 Au\n0.393775 0.393775 0.393775 Au\n","nsites":5,"nelements":2,"elements":["Cu","Au"],"chemical_system":"Au-Cu","density":16.608849537244435,"density_atomic":0.05873818867130823,"volume":85.1234965378213,"volume_molar":10.25251356268265,"formula_full":"Cu1 Au4","formula_reduced":"CuAu4","formula_anonymous":"AB4","energy":-17.129929,"energy_per_atom":-3.4259858000000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.129929,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008808,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.016000Z","spacegroup":166},{"id":"mp-1186664","created_at":"2022-09-04T14:42:55.284527Z","structure_string":"Pu1 Au3\n1.0\n0.000000 3.468827 3.468827\n3.468827 0.000000 3.468827\n3.468827 3.468827 0.000000\nPu Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n0.500000 0.500000 0.500000 Au\n","nsites":4,"nelements":2,"elements":["Pu","Au"],"chemical_system":"Au-Pu","density":16.607546904911032,"density_atomic":0.04791616733636675,"volume":83.47913078941386,"volume_molar":12.568076903407507,"formula_full":"Pu1 Au3","formula_reduced":"PuAu3","formula_anonymous":"AB3","energy":-23.61602728,"energy_per_atom":-5.90400682,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.61602728,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2752041,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.730000Z","spacegroup":225},{"id":"mp-1186847","created_at":"2022-09-04T14:40:12.396870Z","structure_string":"Pu1 Pa3\n1.0\n-2.260064 2.260064 4.588376\n2.260064 -2.260064 4.588376\n2.260064 2.260064 -4.588376\nPu Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Pa\n0.250000 0.750000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n","nsites":4,"nelements":2,"elements":["Pu","Pa"],"chemical_system":"Pa-Pu","density":16.598854195154665,"density_atomic":0.04266772873710951,"volume":93.74766640721306,"volume_molar":14.114041075644014,"formula_full":"Pu1 Pa3","formula_reduced":"PuPa3","formula_anonymous":"AB3","energy":-41.28763907,"energy_per_atom":-10.3219097675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.28763907,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0568464,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.947000Z","spacegroup":139},{"id":"mp-977357","created_at":"2022-09-04T14:41:56.015339Z","structure_string":"Ta2 Re1 Ru1\n1.0\n0.000000 3.190488 3.190488\n3.190488 0.000000 3.190488\n3.190488 3.190488 0.000000\nTa Re Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Ta","Re","Ru"],"chemical_system":"Re-Ru-Ta","density":16.59617644136405,"density_atomic":0.06158268910866124,"volume":64.9533181791086,"volume_molar":9.778950622591472,"formula_full":"Ta2 Re1 Ru1","formula_reduced":"Ta2ReRu","formula_anonymous":"ABC2","energy":-46.94215012,"energy_per_atom":-11.73553753,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.94215012,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007337,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.603000Z","spacegroup":225},{"id":"mp-22140","created_at":"2022-09-04T14:48:06.000232Z","structure_string":"Pu2 Pd2\n1.0\n-2.107786 2.453574 3.390612\n2.107786 -2.453574 3.390612\n2.107786 2.453574 -3.390612\nPu Pd\n2 2\ndirect\n0.093870 0.343870 0.750000 Pu\n0.906130 0.656130 0.250000 Pu\n0.636771 0.886771 0.750000 Pd\n0.363229 0.113229 0.250000 Pd\n","nsites":4,"nelements":2,"elements":["Pu","Pd"],"chemical_system":"Pd-Pu","density":16.59220924171865,"density_atomic":0.057029062044137324,"volume":70.13967715099754,"volume_molar":10.559775216606573,"formula_full":"Pu2 Pd2","formula_reduced":"PuPd","formula_anonymous":"AB","energy":-39.5793535,"energy_per_atom":-9.894838375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.5793535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.212162,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.839000Z","spacegroup":74},{"id":"mp-999266","created_at":"2022-09-04T14:39:23.530920Z","structure_string":"Re2 N2\n1.0\n1.398137 -2.421644 0.000000\n1.398137 2.421644 0.000000\n0.000000 0.000000 5.918377\nRe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n","nsites":4,"nelements":2,"elements":["Re","N"],"chemical_system":"N-Re","density":16.591293075924437,"density_atomic":0.09980845699186305,"volume":40.076764239788844,"volume_molar":6.033697886433571,"formula_full":"Re2 N2","formula_reduced":"ReN","formula_anonymous":"AB","energy":-40.60107835,"energy_per_atom":-10.1502695875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.87907835,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0116731,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.401000Z","spacegroup":194},{"id":"mp-1224871","created_at":"2022-09-04T14:40:21.272391Z","structure_string":"Ga3 Ge1 Pt8\n1.0\n4.125655 0.000000 0.000000\n0.000000 5.587310 0.000000\n0.000000 0.019574 8.001480\nGa Ge Pt\n3 1 8\ndirect\n0.000000 0.695971 0.398233 Ga\n0.500000 0.799818 0.892157 Ga\n0.500000 0.304904 0.604322 Ga\n0.000000 0.197153 0.103891 Ge\n0.000000 0.647455 0.073137 Pt\n0.000000 0.154766 0.426162 Pt\n0.500000 0.344741 0.928949 Pt\n0.500000 0.846792 0.571853 Pt\n0.000000 0.546853 0.705352 Pt\n0.000000 0.048100 0.797201 Pt\n0.500000 0.458414 0.298992 Pt\n0.500000 0.955032 0.199749 Pt\n","nsites":12,"nelements":3,"elements":["Ga","Ge","Pt"],"chemical_system":"Ga-Ge-Pt","density":16.587697829131958,"density_atomic":0.06506017782277275,"volume":184.44462344828835,"volume_molar":9.256262373589909,"formula_full":"Ga3 Ge1 Pt8","formula_reduced":"Ga3GePt8","formula_anonymous":"AB3C8","energy":-68.12467387,"energy_per_atom":-5.677056155833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.12467387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017324,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.266000Z","spacegroup":6},{"id":"mp-1102508","created_at":"2022-09-04T14:40:30.403512Z","structure_string":"Dy4 Os8\n1.0\n2.666735 -4.618921 0.000000\n2.666735 4.618921 0.000000\n0.000000 0.000000 8.826678\nDy Os\n4 8\ndirect\n0.333333 0.666667 0.434732 Dy\n0.666667 0.333333 0.565268 Dy\n0.666667 0.333333 0.934732 Dy\n0.333333 0.666667 0.065268 Dy\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.827447 0.172553 0.250000 Os\n0.827447 0.654893 0.250000 Os\n0.345107 0.172553 0.250000 Os\n0.172553 0.827447 0.750000 Os\n0.172553 0.345107 0.750000 Os\n0.654893 0.827447 0.750000 Os\n","nsites":12,"nelements":2,"elements":["Dy","Os"],"chemical_system":"Dy-Os","density":16.585526035118413,"density_atomic":0.05518659149659882,"volume":217.44412319321384,"volume_molar":10.912325977535955,"formula_full":"Dy4 Os8","formula_reduced":"DyOs2","formula_anonymous":"AB2","energy":-111.94761562,"energy_per_atom":-9.328967968333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.94761562,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3463854,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.649000Z","spacegroup":194},{"id":"mp-1078623","created_at":"2022-09-04T14:47:37.010490Z","structure_string":"Zr2 B1 Ir6\n1.0\n0.000000 4.070051 4.070051\n4.070051 0.000000 4.070051\n4.070051 4.070051 0.000000\nZr B Ir\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 B\n0.741846 0.741846 0.258154 Ir\n0.258154 0.741846 0.258154 Ir\n0.741846 0.258154 0.258154 Ir\n0.258154 0.258154 0.741846 Ir\n0.741846 0.258154 0.741846 Ir\n0.258154 0.741846 0.741846 Ir\n","nsites":9,"nelements":3,"elements":["Zr","B","Ir"],"chemical_system":"B-Ir-Zr","density":16.58233101170008,"density_atomic":0.06674411212287662,"volume":134.84335492291672,"volume_molar":9.022729598849372,"formula_full":"Zr2 B1 Ir6","formula_reduced":"Zr2BIr6","formula_anonymous":"AB2C6","energy":-84.12202002,"energy_per_atom":-9.346891113333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.12202002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043715,"is_theoretical":false,"updated_at":"2021-11-28T01:38:19.082000Z","spacegroup":225}]}