{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10244","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10242","results":[{"id":"mp-310","created_at":"2022-09-04T14:40:53.800537Z","structure_string":"Np2 Co4\n1.0\n4.260472 0.000000 2.459785\n1.420157 4.016812 2.459785\n0.000000 0.000000 4.919569\nNp Co\n2 4\ndirect\n0.875000 0.875000 0.875000 Np\n0.125000 0.125000 0.125000 Np\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n","nsites":6,"nelements":2,"elements":["Np","Co"],"chemical_system":"Co-Np","density":13.998376954444538,"density_atomic":0.07126642491587112,"volume":84.19111814691006,"volume_molar":8.450179403708047,"formula_full":"Np2 Co4","formula_reduced":"NpCo2","formula_anonymous":"AB2","energy":-54.76613372,"energy_per_atom":-9.127688953333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.76613372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.4611785,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.263000Z","spacegroup":227},{"id":"mp-1094286","created_at":"2022-09-04T14:40:56.364914Z","structure_string":"Sr3 Mg3\n1.0\n2.126466 -3.683148 0.000000\n2.126466 3.683148 0.000000\n0.000000 0.000000 15.813813\nSr Mg\n3 3\ndirect\n0.666667 0.333333 0.723069 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.276931 Sr\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.888442 Mg\n0.000000 0.000000 0.111558 Mg\n","nsites":6,"nelements":2,"elements":["Sr","Mg"],"chemical_system":"Mg-Sr","density":2.2508846889671776,"density_atomic":0.02422183504341931,"volume":247.71038153156383,"volume_molar":24.862446421606364,"formula_full":"Sr3 Mg3","formula_reduced":"SrMg","formula_anonymous":"AB","energy":-9.06355751,"energy_per_atom":-1.5105929183333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.06355751,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0076635,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.177000Z","spacegroup":187},{"id":"mp-2613","created_at":"2022-09-04T14:40:53.905208Z","structure_string":"La1 Cu5\n1.0\n2.580075 -4.468822 0.000000\n2.580075 4.468822 0.000000\n0.000000 0.000000 4.137562\nLa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.333333 0.666667 0.000000 Cu\n","nsites":6,"nelements":2,"elements":["La","Cu"],"chemical_system":"Cu-La","density":7.94728601783334,"density_atomic":0.06288562087729828,"volume":95.41131845874804,"volume_molar":9.576339830929449,"formula_full":"La1 Cu5","formula_reduced":"LaCu5","formula_anonymous":"AB5","energy":-26.32675074,"energy_per_atom":-4.3877917900000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.32675074,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.006611,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.323000Z","spacegroup":191},{"id":"mp-996","created_at":"2022-09-04T14:40:55.091167Z","structure_string":"Os2 O4\n1.0\n4.516491 0.000000 0.000000\n0.000000 4.516491 0.000000\n0.000000 0.000000 3.222372\nOs O\n2 4\ndirect\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.808410 0.191590 0.500000 O\n0.191590 0.808410 0.500000 O\n0.308410 0.308410 0.000000 O\n0.691590 0.691590 0.000000 O\n","nsites":6,"nelements":2,"elements":["Os","O"],"chemical_system":"O-Os","density":11.22797561553578,"density_atomic":0.09127950512710897,"volume":65.73217056386153,"volume_molar":6.597473059931712,"formula_full":"Os2 O4","formula_reduced":"OsO2","formula_anonymous":"AB2","energy":-50.3069841,"energy_per_atom":-8.38449735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.5589841,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007279,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.326000Z","spacegroup":136},{"id":"mp-1019","created_at":"2022-09-04T14:40:43.512145Z","structure_string":"Y2 Ni4\n1.0\n0.000000 3.587422 3.587422\n3.587422 0.000000 3.587422\n3.587422 3.587422 0.000000\nY Ni\n2 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Y\n0.625000 0.625000 0.125000 Ni\n0.625000 0.125000 0.625000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n","nsites":6,"nelements":2,"elements":["Y","Ni"],"chemical_system":"Ni-Y","density":7.419684708914734,"density_atomic":0.0649791241627059,"volume":92.33734799158216,"volume_molar":9.267808450173517,"formula_full":"Y2 Ni4","formula_reduced":"YNi2","formula_anonymous":"AB2","energy":-38.55768325,"energy_per_atom":-6.426280541666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.55768325,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0419556,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.781000Z","spacegroup":227},{"id":"mp-1206329","created_at":"2022-09-04T14:40:53.225420Z","structure_string":"Th2 Si2 Rh2\n1.0\n-2.080056 2.080056 7.228993\n2.080056 -2.080056 7.228993\n2.080056 2.080056 -7.228993\nTh Si Rh\n2 2 2\ndirect\n0.579194 0.579194 0.000000 Th\n0.329194 0.829194 0.500000 Th\n0.000093 0.000093 0.000000 Si\n0.750093 0.250093 0.500000 Si\n0.167713 0.167713 0.000000 Rh\n0.917713 0.417713 0.500000 Rh\n","nsites":6,"nelements":3,"elements":["Th","Si","Rh"],"chemical_system":"Rh-Si-Th","density":9.636795300196392,"density_atomic":0.047958258046734176,"volume":125.10879761631759,"volume_molar":12.557046492663616,"formula_full":"Th2 Si2 Rh2","formula_reduced":"ThSiRh","formula_anonymous":"ABC","energy":-46.36075947,"energy_per_atom":-7.726793245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.36075947,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.3e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.587000Z","spacegroup":109},{"id":"mp-29754","created_at":"2022-09-04T14:40:44.239631Z","structure_string":"Sr2 Li2 N2\n1.0\n3.941535 0.000000 0.000000\n0.000000 3.941535 0.000000\n0.000000 0.000000 7.094926\nSr Li N\n2 2 2\ndirect\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.250000 Sr\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n","nsites":6,"nelements":3,"elements":["Sr","Li","N"],"chemical_system":"Li-N-Sr","density":3.2711547178089724,"density_atomic":0.05443429537106723,"volume":110.22462877675282,"volume_molar":11.063137161872536,"formula_full":"Sr2 Li2 N2","formula_reduced":"SrLiN","formula_anonymous":"ABC","energy":-27.571360840000004,"energy_per_atom":-4.595226806666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.84936084,"band_gap":0.2494999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.463000Z","spacegroup":131},{"id":"mp-29210","created_at":"2022-09-04T14:40:52.277426Z","structure_string":"Li4 Ga2\n1.0\n2.265675 -4.692097 0.000000\n2.265675 4.692097 0.000000\n0.000000 0.000000 4.380613\nLi Ga\n4 2\ndirect\n0.413065 0.586935 0.250000 Li\n0.586935 0.413065 0.750000 Li\n0.241826 0.758174 0.750000 Li\n0.758174 0.241826 0.250000 Li\n0.078619 0.921381 0.250000 Ga\n0.921381 0.078619 0.750000 Ga\n","nsites":6,"nelements":2,"elements":["Li","Ga"],"chemical_system":"Ga-Li","density":2.9811365329437463,"density_atomic":0.06442015608768517,"volume":93.13855110554421,"volume_molar":9.348224415667348,"formula_full":"Li4 Ga2","formula_reduced":"Li2Ga","formula_anonymous":"AB2","energy":-15.48598931,"energy_per_atom":-2.5809982183333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.48598931,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001439,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.441000Z","spacegroup":63},{"id":"mp-1208","created_at":"2022-09-04T14:40:44.000428Z","structure_string":"Er2 Al4\n1.0\n0.000000 3.910978 3.910978\n3.910978 0.000000 3.910978\n3.910978 3.910978 0.000000\nEr Al\n2 4\ndirect\n0.500000 0.500000 0.500000 Er\n0.750000 0.750000 0.750000 Er\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n","nsites":6,"nelements":2,"elements":["Er","Al"],"chemical_system":"Al-Er","density":6.140750389421084,"density_atomic":0.050149330073144587,"volume":119.64267501178553,"volume_molar":12.008417163731785,"formula_full":"Er2 Al4","formula_reduced":"ErAl2","formula_anonymous":"AB2","energy":-27.159311800000005,"energy_per_atom":-4.526551966666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.159311800000005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0191263,"is_theoretical":false,"updated_at":"2021-11-28T01:35:07.735000Z","spacegroup":227},{"id":"mp-2462","created_at":"2022-09-04T14:40:53.280291Z","structure_string":"Pr1 Cu5\n1.0\n2.567558 -4.447140 0.000000\n2.567558 4.447140 0.000000\n0.000000 0.000000 4.102636\nPr Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n","nsites":6,"nelements":2,"elements":["Pr","Cu"],"chemical_system":"Cu-Pr","density":8.128768476947254,"density_atomic":0.06404086710789332,"volume":93.69017427405309,"volume_molar":9.403590288454643,"formula_full":"Pr1 Cu5","formula_reduced":"PrCu5","formula_anonymous":"AB5","energy":-26.16630095,"energy_per_atom":-4.361050158333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.16630095,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006243,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.033000Z","spacegroup":191},{"id":"mp-1220277","created_at":"2022-09-04T14:40:53.330603Z","structure_string":"Nd2 Fe1 Si2 Ru1\n1.0\n4.165570 0.000000 0.000000\n0.000000 4.165570 0.000000\n0.000000 0.000000 6.952249\nNd Fe Si Ru\n2 1 2 1\ndirect\n0.500000 0.000000 0.318209 Nd\n0.000000 0.500000 0.681791 Nd\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.829129 Si\n0.000000 0.500000 0.170871 Si\n0.500000 0.500000 0.000000 Ru\n","nsites":6,"nelements":4,"elements":["Nd","Fe","Si","Ru"],"chemical_system":"Fe-Nd-Ru-Si","density":6.904090217627305,"density_atomic":0.049736710478687635,"volume":120.6352398912876,"volume_molar":12.108039920695017,"formula_full":"Nd2 Fe1 Si2 Ru1","formula_reduced":"Nd2FeSi2Ru","formula_anonymous":"ABC2D2","energy":-41.93498664,"energy_per_atom":-6.98916444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.07698664,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046316,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.564000Z","spacegroup":115},{"id":"mp-753721","created_at":"2022-09-04T14:40:57.705412Z","structure_string":"Gd2 O2 F2\n1.0\n6.571965 -1.942778 0.000000\n6.571965 1.942778 0.000000\n5.997649 0.000000 3.315617\nGd O F\n2 2 2\ndirect\n0.259101 0.259101 0.259101 Gd\n0.740899 0.740899 0.740899 Gd\n0.377860 0.377860 0.377860 O\n0.622140 0.622140 0.622140 O\n0.129649 0.129649 0.129649 F\n0.870351 0.870351 0.870351 F\n","nsites":6,"nelements":3,"elements":["Gd","O","F"],"chemical_system":"F-Gd-O","density":7.54097857439577,"density_atomic":0.07086609111200885,"volume":84.66672714481425,"volume_molar":8.49791580924307,"formula_full":"Gd2 O2 F2","formula_reduced":"GdOF","formula_anonymous":"ABC","energy":-67.04372599,"energy_per_atom":-11.173954331666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.74572599,"band_gap":3.3707000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.0063976,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.844000Z","spacegroup":166}]}