{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=26","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=24","results":[{"id":"mp-1224431","created_at":"2022-09-04T14:40:32.413113Z","structure_string":"Hg34\n1.0\n6.638670 -11.486482 0.000000\n6.638670 11.486482 0.000000\n0.000000 0.000000 10.518507\nHg\n34\ndirect\n0.749358 0.250973 0.497872 Hg\n0.749042 0.498092 0.497437 Hg\n0.501632 0.251023 0.497871 Hg\n0.250973 0.749358 0.502128 Hg\n0.251023 0.501632 0.502129 Hg\n0.498092 0.749042 0.502563 Hg\n0.250973 0.749358 0.997872 Hg\n0.251023 0.501632 0.997871 Hg\n0.498092 0.749042 0.997437 Hg\n0.749358 0.250973 0.002128 Hg\n0.749042 0.498092 0.002563 Hg\n0.501632 0.251023 0.002129 Hg\n0.833028 0.666697 0.750000 Hg\n0.333321 0.166747 0.750000 Hg\n0.833250 0.166341 0.750000 Hg\n0.166747 0.333321 0.250000 Hg\n0.666697 0.833028 0.250000 Hg\n0.166341 0.833250 0.250000 Hg\n0.750126 0.750126 0.500000 Hg\n0.250161 0.000054 0.499821 Hg\n0.000054 0.250161 0.500179 Hg\n0.250014 0.250014 0.500000 Hg\n0.000483 0.750142 0.500118 Hg\n0.750142 0.000483 0.499882 Hg\n0.250014 0.250014 0.000000 Hg\n0.750142 0.000483 0.000118 Hg\n0.000483 0.750142 0.999882 Hg\n0.750126 0.750126 0.000000 Hg\n0.000054 0.250161 0.999821 Hg\n0.250161 0.000054 0.000179 Hg\n0.499528 0.500481 0.750000 Hg\n0.499451 0.998958 0.750000 Hg\n0.500481 0.499528 0.250000 Hg\n0.998958 0.499451 0.250000 Hg\n","nsites":34,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":7.059681036103451,"density_atomic":0.021194672184460684,"volume":1604.1767338552095,"volume_molar":28.41346498586214,"formula_full":"Hg34","formula_reduced":"Hg","formula_anonymous":"A","energy":-8.94396295,"energy_per_atom":-0.26305773382352937,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.94396295,"band_gap":0.7993000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.851000Z","spacegroup":40},{"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-611219","created_at":"2022-09-04T14:44:50.318943Z","structure_string":"Hg1\n1.0\n7.830023 -1.770053 0.000000\n7.830023 1.770053 0.000000\n7.429885 0.000000 3.039598\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":3.9533286686092426,"density_atomic":0.011868738083222304,"volume":84.25495558062774,"volume_molar":50.739520223408775,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.21932567,"energy_per_atom":-0.21932567,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.21932567,"band_gap":1.7611,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059825,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.093000Z","spacegroup":166},{"id":"mp-1184766","created_at":"2022-09-04T14:42:42.918303Z","structure_string":"Hg20\n1.0\n8.609921 0.000000 0.000000\n0.000000 8.609921 0.000000\n0.000000 0.000000 8.609921\nHg\n20\ndirect\n0.375000 0.204859 0.545141 Hg\n0.560878 0.560878 0.560878 Hg\n0.704859 0.954859 0.625000 Hg\n0.310878 0.810878 0.689122 Hg\n0.954859 0.625000 0.704859 Hg\n0.045141 0.125000 0.795141 Hg\n0.689122 0.310878 0.810878 Hg\n0.295141 0.454859 0.875000 Hg\n0.439122 0.060878 0.939122 Hg\n0.625000 0.704859 0.954859 Hg\n0.125000 0.795141 0.045141 Hg\n0.939122 0.439122 0.060878 Hg\n0.795141 0.045141 0.125000 Hg\n0.189122 0.189122 0.189122 Hg\n0.545141 0.375000 0.204859 Hg\n0.454859 0.875000 0.295141 Hg\n0.810878 0.689122 0.310878 Hg\n0.204859 0.545141 0.375000 Hg\n0.060878 0.939122 0.439122 Hg\n0.875000 0.295141 0.454859 Hg\n","nsites":20,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.437365009775842,"density_atomic":0.03133520179175948,"volume":638.2598118535045,"volume_molar":19.218452142164605,"formula_full":"Hg20","formula_reduced":"Hg","formula_anonymous":"A","energy":-6.05923205,"energy_per_atom":-0.30296160250000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.05923205,"band_gap":0.7609000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012516,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.851000Z","spacegroup":213},{"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-1017981","created_at":"2022-09-04T14:43:15.556631Z","structure_string":"Hg1\n1.0\n-1.965509 1.965509 1.965509\n1.965509 -1.965509 1.965509\n1.965509 1.965509 -1.965509\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.966632095520213,"density_atomic":0.03292417476702697,"volume":30.372818971957464,"volume_molar":18.290939112712632,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.30259183,"energy_per_atom":-0.30259183,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.30259183,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.046000Z","spacegroup":229},{"id":"mp-1184554","created_at":"2022-09-04T14:48:29.905178Z","structure_string":"Hg2\n1.0\n1.789922 -3.100236 0.000000\n1.789922 3.100236 0.000000\n0.000000 0.000000 5.734710\nHg\n2\ndirect\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n","nsites":2,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.466899494409137,"density_atomic":0.031423870630583564,"volume":63.645883204899725,"volume_molar":19.164223372721302,"formula_full":"Hg2","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.60736073,"energy_per_atom":-0.303680365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.60736073,"band_gap":0.2396999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058498,"is_theoretical":true,"updated_at":"2021-11-28T01:39:52.266000Z","spacegroup":194},{"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-569289","created_at":"2022-09-04T14:40:37.238752Z","structure_string":"Hg1\n1.0\n-2.069695 2.069695 1.802258\n2.069695 -2.069695 1.802258\n2.069695 2.069695 -1.802258\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.7862062769837,"density_atomic":0.03238249787568613,"volume":30.880879042713797,"volume_molar":18.596900038775654,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.2961163,"energy_per_atom":-0.2961163,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.2961163,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.08e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.248000Z","spacegroup":139},{"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-1184657","created_at":"2022-09-04T14:42:53.907978Z","structure_string":"Hg8\n1.0\n6.304307 0.000000 0.000000\n0.000000 6.304307 0.000000\n0.000000 0.000000 6.304307\nHg\n8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.750000 0.000000 Hg\n0.000000 0.500000 0.250000 Hg\n0.250000 0.000000 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.750000 Hg\n","nsites":8,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.634970792149755,"density_atomic":0.031928456608478595,"volume":250.560185169602,"volume_molar":18.861358799287597,"formula_full":"Hg8","formula_reduced":"Hg","formula_anonymous":"A","energy":-2.38875985,"energy_per_atom":-0.29859498125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.38875985,"band_gap":0.5904,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.511000Z","spacegroup":223},{"id":"mp-753304","created_at":"2022-09-04T14:43:33.462524Z","structure_string":"Hg1\n1.0\n0.000000 2.535410 2.535410\n2.535410 0.000000 2.535410\n2.535410 2.535410 0.000000\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.218420805720436,"density_atomic":0.030677884469927155,"volume":32.596771820438846,"volume_molar":19.63023482242842,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.29137629,"energy_per_atom":-0.29137629,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.29137629,"band_gap":0.3447,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0071822,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.923000Z","spacegroup":225}]}