{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=37","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=35","results":[{"id":"mp-1215602","created_at":"2022-09-04T14:46:29.432898Z","structure_string":"Zn3 Hg1\n1.0\n2.873532 0.000000 0.000000\n1.436766 2.476386 0.000000\n0.000000 0.000000 10.479848\nZn Hg\n3 1\ndirect\n0.664530 0.670939 0.625000 Zn\n0.342488 0.315025 0.414674 Zn\n0.342488 0.315025 0.835326 Zn\n0.650495 0.699011 0.125000 Hg\n","nsites":4,"nelements":2,"elements":["Zn","Hg"],"chemical_system":"Hg-Zn","density":8.835883991558267,"density_atomic":0.053637759626813476,"volume":74.57433024477784,"volume_molar":11.227427845419435,"formula_full":"Zn3 Hg1","formula_reduced":"Zn3Hg","formula_anonymous":"AB3","energy":-3.49296271,"energy_per_atom":-0.8732406775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.49296271,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0041322,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.406000Z","spacegroup":38},{"id":"mp-1038961","created_at":"2022-09-04T14:45:34.886534Z","structure_string":"Ca1 Mg1\n1.0\n1.834059 -3.176684 0.000000\n1.834059 3.176684 0.000000\n0.000000 0.000000 5.622298\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.000000 Mg\n","nsites":2,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.6318834280746315,"density_atomic":0.030528032900526275,"volume":65.51355622934754,"volume_molar":19.72659286506529,"formula_full":"Ca1 Mg1","formula_reduced":"CaMg","formula_anonymous":"AB","energy":-3.49333957,"energy_per_atom":-1.746669785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.49333957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0052422,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.960000Z","spacegroup":187},{"id":"mp-1039368","created_at":"2022-09-04T14:39:14.646569Z","structure_string":"Ca1 Mg1\n1.0\n5.750650 -1.828749 0.000000\n5.750650 1.828749 0.000000\n5.169094 0.000000 3.113641\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mg\n","nsites":2,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.6324907756795282,"density_atomic":0.030539394697175083,"volume":65.48918273697814,"volume_molar":19.719253834972218,"formula_full":"Ca1 Mg1","formula_reduced":"CaMg","formula_anonymous":"AB","energy":-3.49635081,"energy_per_atom":-1.748175405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.49635081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0079476,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.540000Z","spacegroup":166},{"id":"mp-527","created_at":"2022-09-04T14:45:27.532789Z","structure_string":"Ba1 Cd1\n1.0\n4.279698 0.000000 0.000000\n0.000000 4.279698 0.000000\n0.000000 0.000000 4.279698\nBa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Cd\n","nsites":2,"nelements":2,"elements":["Ba","Cd"],"chemical_system":"Ba-Cd","density":5.290471211624134,"density_atomic":0.02551470928263893,"volume":78.3861567006318,"volume_molar":23.602623464331096,"formula_full":"Ba1 Cd1","formula_reduced":"BaCd","formula_anonymous":"AB","energy":-3.49740878,"energy_per_atom":-1.74870439,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.49740878,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:10.060000Z","spacegroup":221},{"id":"mp-973824","created_at":"2022-09-04T14:42:46.533313Z","structure_string":"Li1 Hg3\n1.0\n0.000000 3.584509 3.584509\n3.584509 0.000000 3.584509\n3.584509 3.584509 0.000000\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":2,"elements":["Li","Hg"],"chemical_system":"Hg-Li","density":10.973400404186787,"density_atomic":0.04342511429738626,"volume":92.11259578056558,"volume_molar":13.867875438988701,"formula_full":"Li1 Hg3","formula_reduced":"LiHg3","formula_anonymous":"AB3","energy":-3.50963883,"energy_per_atom":-0.8774097075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.50963883,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014348,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.045000Z","spacegroup":225},{"id":"mp-10869","created_at":"2022-09-04T14:41:26.759513Z","structure_string":"S1\n1.0\n2.575968 0.000000 0.000000\n0.000000 2.575968 0.000000\n0.000000 0.000000 2.575968\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n","nsites":1,"nelements":1,"elements":["S"],"chemical_system":"S","density":3.1150064527763854,"density_atomic":0.05850306356903289,"volume":17.09312194941744,"volume_molar":10.293718640723743,"formula_full":"S1","formula_reduced":"S","formula_anonymous":"A","energy":-3.51000844,"energy_per_atom":-3.51000844,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.51000844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016142,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.088000Z","spacegroup":221},{"id":"mp-902","created_at":"2022-09-04T14:39:18.021922Z","structure_string":"Ba1 Zn1\n1.0\n4.121492 0.000000 0.000000\n0.000000 4.121492 0.000000\n0.000000 0.000000 4.121492\nBa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Zn\n","nsites":2,"nelements":2,"elements":["Ba","Zn"],"chemical_system":"Ba-Zn","density":4.808577139868578,"density_atomic":0.02856713006236093,"volume":70.01053293187233,"volume_molar":21.080664199917532,"formula_full":"Ba1 Zn1","formula_reduced":"BaZn","formula_anonymous":"AB","energy":-3.51347611,"energy_per_atom":-1.756738055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.51347611,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001821,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.024000Z","spacegroup":221},{"id":"mp-1093799","created_at":"2022-09-04T14:46:10.279084Z","structure_string":"Na1 Ca2 Al1\n1.0\n-6.526372 6.809046 9.661957\n6.526372 -6.809046 9.661957\n6.526372 6.809046 -9.661957\nNa Ca Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.276054 0.276054 Ca\n0.000000 0.723946 0.723946 Ca\n0.000000 0.500000 0.500000 Al\n","nsites":4,"nelements":3,"elements":["Na","Ca","Al"],"chemical_system":"Al-Ca-Na","density":0.125815560858103,"density_atomic":0.002329039245924897,"volume":1717.446370643505,"volume_molar":258.56759479415797,"formula_full":"Na1 Ca2 Al1","formula_reduced":"NaCa2Al","formula_anonymous":"ABC2","energy":-3.51348858,"energy_per_atom":-0.878372145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.51348858,"band_gap":0.1318999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0007671,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.034000Z","spacegroup":71},{"id":"mp-1097457","created_at":"2022-09-04T14:44:26.932198Z","structure_string":"Sr2 Li1 Al1\n1.0\n-6.373902 6.682265 9.005028\n6.373902 -6.682265 9.005028\n6.373902 6.682265 -9.005028\nSr Li Al\n2 1 1\ndirect\n0.269793 0.000000 0.269793 Sr\n0.730207 0.000000 0.730207 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Al\n","nsites":4,"nelements":3,"elements":["Sr","Li","Al"],"chemical_system":"Al-Li-Sr","density":0.2263908481033897,"density_atomic":0.002607269090633496,"volume":1534.1722932894922,"volume_molar":230.97503750703316,"formula_full":"Sr2 Li1 Al1","formula_reduced":"Sr2LiAl","formula_anonymous":"ABC2","energy":-3.51819297,"energy_per_atom":-0.8795482425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.51819297,"band_gap":0.0294999999999996,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.0112578,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.277000Z","spacegroup":71},{"id":"mp-1093668","created_at":"2022-09-04T14:47:57.087284Z","structure_string":"Ca2 Cd1 Ag1\n1.0\n-6.424899 6.445594 9.093475\n6.424899 -6.445594 9.093475\n6.424899 6.445594 -9.093475\nCa Cd Ag\n2 1 1\ndirect\n0.000000 0.235269 0.235269 Ca\n0.000000 0.764731 0.764731 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n","nsites":4,"nelements":3,"elements":["Ca","Cd","Ag"],"chemical_system":"Ag-Ca-Cd","density":0.3311927280044247,"density_atomic":0.002655466772762036,"volume":1506.3265114176036,"volume_molar":226.7827570569139,"formula_full":"Ca2 Cd1 Ag1","formula_reduced":"Ca2CdAg","formula_anonymous":"ABC2","energy":-3.52443568,"energy_per_atom":-0.88110892,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.52443568,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030042,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.165000Z","spacegroup":71},{"id":"mp-1185337","created_at":"2022-09-04T14:47:58.957675Z","structure_string":"Li1 Hg3\n1.0\n-2.322143 2.322143 4.299339\n2.322143 -2.322143 4.299339\n2.322143 2.322143 -4.299339\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Li","Hg"],"chemical_system":"Hg-Li","density":10.89985309575773,"density_atomic":0.04313406501847922,"volume":92.73413016571348,"volume_molar":13.961449627852218,"formula_full":"Li1 Hg3","formula_reduced":"LiHg3","formula_anonymous":"AB3","energy":-3.52583899,"energy_per_atom":-0.8814597475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.52583899,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037808,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.162000Z","spacegroup":139},{"id":"mp-1059242","created_at":"2022-09-04T14:46:08.272192Z","structure_string":"Cl1 O1\n1.0\n3.091301 0.000000 0.000000\n0.000000 3.091301 0.000000\n0.000000 0.000000 3.091301\nCl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Cl","O"],"chemical_system":"Cl-O","density":2.8922168473989274,"density_atomic":0.06770271928811421,"volume":29.540910926913345,"volume_molar":8.894976189024712,"formula_full":"Cl1 O1","formula_reduced":"ClO","formula_anonymous":"AB","energy":-4.21826851,"energy_per_atom":-2.109134255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.53126851,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9784097,"is_theoretical":false,"updated_at":"2021-11-28T01:37:27.968000Z","spacegroup":221}]}