{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=12192","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=12190","results":[{"id":"mp-1093634","created_at":"2022-09-04T14:44:59.531857Z","structure_string":"Ba1 Sr1 Mg2\n1.0\n-6.954643 7.766033 9.824773\n6.954643 -7.766033 9.824773\n6.954643 7.766033 -9.824773\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.749882 0.000000 0.749882 Mg\n0.250118 0.000000 0.250118 Mg\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Mg"],"chemical_system":"Ba-Mg-Sr","density":0.2140130914711982,"density_atomic":0.001884531504246206,"volume":2122.5434496516737,"volume_molar":319.55638557545876,"formula_full":"Ba1 Sr1 Mg2","formula_reduced":"BaSrMg2","formula_anonymous":"ABC2","energy":-1.15450105,"energy_per_atom":-0.2886252625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.15450105,"band_gap":0.0103999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000913,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.632000Z","spacegroup":71},{"id":"mp-1077098","created_at":"2022-09-04T14:43:41.639420Z","structure_string":"Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n","nsites":6,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":8.858264989926415,"density_atomic":0.026594405841344038,"volume":225.6113573581823,"volume_molar":22.644389184427254,"formula_full":"Hg6","formula_reduced":"Hg","formula_anonymous":"A","energy":-1.71442074,"energy_per_atom":-0.28573679,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.71442074,"band_gap":1.0394,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003742,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.064000Z","spacegroup":14},{"id":"mp-1184687","created_at":"2022-09-04T14:44:08.314888Z","structure_string":"Hg2\n1.0\n0.000000 2.970073 6.035906\n1.839716 0.000000 6.035906\n1.839716 2.970073 0.000000\nHg\n2\ndirect\n0.365981 0.365981 0.634019 Hg\n0.634019 0.634019 0.365981 Hg\n","nsites":2,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.099456407188216,"density_atomic":0.03032072790497509,"volume":65.96147712112926,"volume_molar":19.861464998048,"formula_full":"Hg2","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.56896506,"energy_per_atom":-0.28448253,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.56896506,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.011643,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.079000Z","spacegroup":69},{"id":"mp-982872","created_at":"2022-09-04T14:41:09.697362Z","structure_string":"Hg1\n1.0\n2.185404 -2.285153 0.000000\n2.185404 2.285153 0.000000\n-0.204050 0.000000 3.155357\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.568974755876773,"density_atomic":0.031730322394322705,"volume":31.515595321493592,"volume_molar":18.979135116123185,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.28320923,"energy_per_atom":-0.28320923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.28320923,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.49e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.569000Z","spacegroup":166},{"id":"mp-1095841","created_at":"2022-09-04T14:43:07.154275Z","structure_string":"Sr2 Mg1 Hg1\n1.0\n-6.381329 7.448308 9.015115\n6.381329 -7.448308 9.015115\n6.381329 7.448308 -9.015115\nSr Mg Hg\n2 1 1\ndirect\n0.743375 0.000000 0.743375 Sr\n0.256625 0.000000 0.256625 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Mg","Hg"],"chemical_system":"Hg-Mg-Sr","density":0.3876641252406366,"density_atomic":0.002333780279763739,"volume":1713.9574083661987,"volume_molar":258.04231924565124,"formula_full":"Sr2 Mg1 Hg1","formula_reduced":"Sr2MgHg","formula_anonymous":"ABC2","energy":-1.11959138,"energy_per_atom":-0.279897845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.11959138,"band_gap":0.4559999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002804,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.160000Z","spacegroup":71},{"id":"mp-1184591","created_at":"2022-09-04T14:45:11.279327Z","structure_string":"Hg2\n1.0\n-3.102453 3.102453 1.637697\n3.102453 -3.102453 1.637697\n3.102453 3.102453 -1.637697\nHg\n2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.750000 0.500000 Hg\n","nsites":2,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.565362558191403,"density_atomic":0.03171947780440208,"volume":63.05274041183731,"volume_molar":18.985623903191232,"formula_full":"Hg2","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.55788659,"energy_per_atom":-0.278943295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.55788659,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000124,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.700000Z","spacegroup":141},{"id":"mp-1184569","created_at":"2022-09-04T14:39:09.125394Z","structure_string":"Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.312732688986728,"density_atomic":0.030961028912106007,"volume":32.29866820120413,"volume_molar":19.450712626818724,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.27885665,"energy_per_atom":-0.27885665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.27885665,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.07e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.859000Z","spacegroup":166},{"id":"mp-1096604","created_at":"2022-09-04T14:39:45.800485Z","structure_string":"Mg2 Zn1 Cd1\n1.0\n-5.584512 5.909793 8.355471\n5.584512 -5.909793 8.355471\n5.584512 5.909793 -8.355471\nMg Zn Cd\n2 1 1\ndirect\n0.000000 0.244473 0.244473 Mg\n0.000000 0.755527 0.755527 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Cd"],"chemical_system":"Cd-Mg-Zn","density":0.3408745979505121,"density_atomic":0.0036263654305097263,"volume":1103.0327959633553,"volume_molar":166.06546900469215,"formula_full":"Mg2 Zn1 Cd1","formula_reduced":"Mg2ZnCd","formula_anonymous":"ABC2","energy":-1.10998129,"energy_per_atom":-0.2774953225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.10998129,"band_gap":0.0691999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.5e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.128000Z","spacegroup":71},{"id":"mp-121","created_at":"2022-09-04T14:43:08.297363Z","structure_string":"Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":11.755694544915189,"density_atomic":0.035293108981259515,"volume":28.334143090964176,"volume_molar":17.063219800776775,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.27636913,"energy_per_atom":-0.27636913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.27636913,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.66e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.748000Z","spacegroup":166},{"id":"mp-1096992","created_at":"2022-09-04T14:41:02.796536Z","structure_string":"Hg4\n1.0\n-3.227143 3.227143 3.344697\n3.227143 -3.227143 3.344697\n3.227143 3.227143 -3.344697\nHg\n4\ndirect\n0.875000 0.329267 0.954267 Hg\n0.375000 0.920733 0.045733 Hg\n0.670733 0.625000 0.545733 Hg\n0.079267 0.125000 0.454267 Hg\n","nsites":4,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":9.562361874033742,"density_atomic":0.02870825525868141,"volume":139.33274467421336,"volume_molar":20.97703502263133,"formula_full":"Hg4","formula_reduced":"Hg","formula_anonymous":"A","energy":-1.10181619,"energy_per_atom":-0.2754540475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.10181619,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001239,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.390000Z","spacegroup":122},{"id":"mp-1097516","created_at":"2022-09-04T14:39:46.189037Z","structure_string":"Ba1 Sr1 Hg2\n1.0\n-6.600972 7.290481 8.813920\n6.600972 -7.290481 8.813920\n6.600972 7.290481 -8.813920\nBa Sr Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.754763 0.000000 0.754763 Hg\n0.245237 0.000000 0.245237 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Hg"],"chemical_system":"Ba-Hg-Sr","density":0.6127994414096205,"density_atomic":0.0023575820848443967,"volume":1696.6535442026848,"volume_molar":255.43716160353625,"formula_full":"Ba1 Sr1 Hg2","formula_reduced":"BaSrHg2","formula_anonymous":"ABC2","energy":-1.09854174,"energy_per_atom":-0.274635435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.09854174,"band_gap":0.0135999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0619129,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.445000Z","spacegroup":71},{"id":"mp-1095766","created_at":"2022-09-04T14:46:16.814372Z","structure_string":"Sr1 Mg1 Cd2\n1.0\n-6.776225 6.940191 9.586307\n6.776225 -6.940191 9.586307\n6.776225 6.940191 -9.586307\nSr Mg Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.765423 0.000000 0.765423 Cd\n0.234577 0.000000 0.234577 Cd\n","nsites":4,"nelements":3,"elements":["Sr","Mg","Cd"],"chemical_system":"Cd-Mg-Sr","density":0.3100860776937939,"density_atomic":0.0022181424134245,"volume":1803.3107233293294,"volume_molar":271.494775247666,"formula_full":"Sr1 Mg1 Cd2","formula_reduced":"SrMgCd2","formula_anonymous":"ABC2","energy":-1.09800768,"energy_per_atom":-0.27450192,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.09800768,"band_gap":0.2513000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001392,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.541000Z","spacegroup":71}]}