{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=82","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=80","results":[{"id":"mp-1096055","created_at":"2022-09-04T14:43:40.199227Z","structure_string":"Y2 Zn1 Pd1\n1.0\n-5.362213 5.966677 8.440898\n5.362213 -5.966677 8.440898\n5.362213 5.966677 -8.440898\nY Zn Pd\n2 1 1\ndirect\n0.000000 0.262249 0.262249 Y\n0.000000 0.737751 0.737751 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Y","Zn","Pd"],"chemical_system":"Pd-Y-Zn","density":0.5374596256540602,"density_atomic":0.003702838393384039,"volume":1080.2523834545163,"volume_molar":162.63579773721483,"formula_full":"Y2 Zn1 Pd1","formula_reduced":"Y2ZnPd","formula_anonymous":"ABC2","energy":-11.93895435,"energy_per_atom":-2.9847385875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.93895435,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.2656509,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.962000Z","spacegroup":71},{"id":"mp-1096597","created_at":"2022-09-04T14:48:03.317115Z","structure_string":"Mg2 Cd1 Au1\n1.0\n-5.516789 5.953768 8.411896\n5.516789 -5.953768 8.411896\n5.516789 5.953768 -8.411896\nMg Cd Au\n2 1 1\ndirect\n0.000000 0.264358 0.264358 Mg\n0.000000 0.735642 0.735642 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Mg","Cd","Au"],"chemical_system":"Au-Cd-Mg","density":0.53787935603237,"density_atomic":0.0036193270108152618,"volume":1105.1778377712797,"volume_molar":166.38841259727727,"formula_full":"Mg2 Cd1 Au1","formula_reduced":"Mg2CdAu","formula_anonymous":"ABC2","energy":-4.42390708,"energy_per_atom":-1.10597677,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.42390708,"band_gap":0.008,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010663,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.341000Z","spacegroup":71},{"id":"mp-1096533","created_at":"2022-09-04T14:47:24.200500Z","structure_string":"Mg2 Tl1 Hg1\n1.0\n-6.209700 6.420731 8.777173\n6.209700 -6.420731 8.777173\n6.209700 6.420731 -8.777173\nMg Tl Hg\n2 1 1\ndirect\n0.755237 0.000000 0.755237 Mg\n0.244763 0.000000 0.244763 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Mg","Tl","Hg"],"chemical_system":"Hg-Mg-Tl","density":0.5380670646177989,"density_atomic":0.002857526370629769,"volume":1399.8121036126927,"volume_molar":210.74663813768348,"formula_full":"Mg2 Tl1 Hg1","formula_reduced":"Mg2TlHg","formula_anonymous":"ABC2","energy":-1.75022188,"energy_per_atom":-0.43755547,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.75022188,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9998618,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.578000Z","spacegroup":71},{"id":"mp-1096694","created_at":"2022-09-04T14:46:54.279690Z","structure_string":"Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Tl","Hg"],"chemical_system":"Hg-Sr-Tl","density":0.538861376831591,"density_atomic":0.0022371766124828097,"volume":1787.967913521506,"volume_molar":269.18486123975043,"formula_full":"Sr2 Tl1 Hg1","formula_reduced":"Sr2TlHg","formula_anonymous":"ABC2","energy":-2.36074623,"energy_per_atom":-0.5901865575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.36074623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2844207,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.577000Z","spacegroup":71},{"id":"mp-1093980","created_at":"2022-09-04T14:48:06.826402Z","structure_string":"Sc2 Ga1 Hg1\n1.0\n-5.749744 5.779442 8.346705\n5.749744 -5.779442 8.346705\n5.749744 5.779442 -8.346705\nSc Ga Hg\n2 1 1\ndirect\n0.000000 0.231699 0.231699 Sc\n0.000000 0.768301 0.768301 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sc","Ga","Hg"],"chemical_system":"Ga-Hg-Sc","density":0.5391545333118021,"density_atomic":0.0036053756163321247,"volume":1109.4544440474529,"volume_molar":167.03227072153265,"formula_full":"Sc2 Ga1 Hg1","formula_reduced":"Sc2GaHg","formula_anonymous":"ABC2","energy":-8.5343415,"energy_per_atom":-2.133585375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.5343415,"band_gap":0.1114999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0065191,"is_theoretical":true,"updated_at":"2021-11-28T01:38:34.038000Z","spacegroup":71},{"id":"mp-1097162","created_at":"2022-09-04T14:47:44.312284Z","structure_string":"Cs2 Au1 Br1\n1.0\n-6.635522 6.709702 9.383641\n6.635522 -6.709702 9.383641\n6.635522 6.709702 -9.383641\nCs Au Br\n2 1 1\ndirect\n0.249900 0.000000 0.249900 Cs\n0.750100 0.000000 0.750100 Cs\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Cs","Au","Br"],"chemical_system":"Au-Br-Cs","density":0.539242845084051,"density_atomic":0.0023935929128268267,"volume":1671.1279426692533,"volume_molar":251.59419246808633,"formula_full":"Cs2 Au1 Br1","formula_reduced":"Cs2AuBr","formula_anonymous":"ABC2","energy":-9.84241894,"energy_per_atom":-2.460604735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.30841894,"band_gap":3.1697,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.627000Z","spacegroup":71},{"id":"mp-1095851","created_at":"2022-09-04T14:40:04.197355Z","structure_string":"Y1 Mg1 Pd2\n1.0\n-5.072595 5.911230 8.363559\n5.072595 -5.911230 8.363559\n5.072595 5.911230 -8.363559\nY Mg Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.261640 0.261640 Pd\n0.000000 0.738360 0.738360 Pd\n","nsites":4,"nelements":3,"elements":["Y","Mg","Pd"],"chemical_system":"Mg-Pd-Y","density":0.5397284002061189,"density_atomic":0.00398750121256743,"volume":1003.134491192925,"volume_molar":151.0254276793694,"formula_full":"Y1 Mg1 Pd2","formula_reduced":"YMgPd2","formula_anonymous":"ABC2","energy":-13.78218625,"energy_per_atom":-3.4455465625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.78218625,"band_gap":0.012,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004203,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.731000Z","spacegroup":71},{"id":"mp-1095959","created_at":"2022-09-04T14:42:27.085966Z","structure_string":"Sc2 Tl1 Rh1\n1.0\n-5.192000 6.327778 9.291301\n5.192000 -6.327778 9.291301\n5.192000 6.327778 -9.291301\nSc Tl Rh\n2 1 1\ndirect\n0.000000 0.218552 0.218552 Sc\n0.000000 0.781448 0.781448 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Sc","Tl","Rh"],"chemical_system":"Rh-Sc-Tl","density":0.5401776119199754,"density_atomic":0.003275952170213027,"volume":1221.0190479490088,"volume_molar":183.828714434753,"formula_full":"Sc2 Tl1 Rh1","formula_reduced":"Sc2TlRh","formula_anonymous":"ABC2","energy":-15.25368354,"energy_per_atom":-3.813420885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.25368354,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3993856,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.680000Z","spacegroup":71},{"id":"mp-1097612","created_at":"2022-09-04T14:42:10.202638Z","structure_string":"Na1 Ag2 Sn1\n1.0\n-5.378962 5.779855 8.833547\n5.378962 -5.779855 8.833547\n5.378962 5.779855 -8.833547\nNa Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.261581 0.000000 0.261581 Ag\n0.738419 0.000000 0.738419 Ag\n0.500000 0.000000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Na","Ag","Sn"],"chemical_system":"Ag-Na-Sn","density":0.5403026026167213,"density_atomic":0.0036412412696016864,"volume":1098.5264924335975,"volume_molar":165.387029150605,"formula_full":"Na1 Ag2 Sn1","formula_reduced":"NaAg2Sn","formula_anonymous":"ABC2","energy":-6.13477469,"energy_per_atom":-1.5336936725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.13477469,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7764316,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.377000Z","spacegroup":71},{"id":"mp-1095998","created_at":"2022-09-04T14:45:19.661617Z","structure_string":"Be1 Fe2 P1\n1.0\n-4.282575 4.426611 6.146749\n4.282575 -4.426611 6.146749\n4.282575 4.426611 -6.146749\nBe Fe P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.257260 0.000000 0.257260 Fe\n0.742740 0.000000 0.742740 Fe\n0.500000 0.000000 0.500000 P\n","nsites":4,"nelements":3,"elements":["Be","Fe","P"],"chemical_system":"Be-Fe-P","density":0.540361000536563,"density_atomic":0.008581795957228857,"volume":466.1029019957773,"volume_molar":70.17343211157639,"formula_full":"Be1 Fe2 P1","formula_reduced":"BeFe2P","formula_anonymous":"ABC2","energy":-16.74019957,"energy_per_atom":-4.1850498925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.74019957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.3353064,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.520000Z","spacegroup":71},{"id":"mp-1097463","created_at":"2022-09-04T14:48:03.459065Z","structure_string":"Li1 Zn1 Cu2\n1.0\n-4.693046 4.919308 6.635100\n4.693046 -4.919308 6.635100\n4.693046 4.919308 -6.635100\nLi Zn Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n0.259414 0.000000 0.259414 Cu\n0.740586 0.000000 0.740586 Cu\n","nsites":4,"nelements":3,"elements":["Li","Zn","Cu"],"chemical_system":"Cu-Li-Zn","density":0.5405046421212351,"density_atomic":0.006528203763324393,"volume":612.7259725672316,"volume_molar":92.24805135269418,"formula_full":"Li1 Zn1 Cu2","formula_reduced":"LiZnCu2","formula_anonymous":"ABC2","energy":-6.12215522,"energy_per_atom":-1.530538805,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.12215522,"band_gap":0.2947000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0001093,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.960000Z","spacegroup":71},{"id":"mp-1095940","created_at":"2022-09-04T14:40:33.803863Z","structure_string":"Zr2 Zn1 Cu1\n1.0\n-5.301729 5.641001 7.996704\n5.301729 -5.641001 7.996704\n5.301729 5.641001 -7.996704\nZr Zn Cu\n2 1 1\ndirect\n0.000000 0.240529 0.240529 Zr\n0.000000 0.759471 0.759471 Zr\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Zr","Zn","Cu"],"chemical_system":"Cu-Zn-Zr","density":0.540539176874299,"density_atomic":0.004181338022506519,"volume":956.6315802428679,"volume_molar":144.02425079209462,"formula_full":"Zr2 Zn1 Cu1","formula_reduced":"Zr2ZnCu","formula_anonymous":"ABC2","energy":-10.52229199,"energy_per_atom":-2.6305729975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.52229199,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0035493,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.898000Z","spacegroup":71}]}