{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=29","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=27","results":[{"id":"mp-974951","created_at":"2022-09-04T14:40:08.937186Z","structure_string":"Rb3 Hg1\n1.0\n6.330224 0.000000 0.000000\n0.000000 6.330224 0.000000\n0.000000 0.000000 6.330224\nRb Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Rb","Hg"],"chemical_system":"Hg-Rb","density":2.9915880583999157,"density_atomic":0.015768949301977017,"volume":253.6630642536535,"volume_molar":38.18986696371064,"formula_full":"Rb3 Hg1","formula_reduced":"Rb3Hg","formula_anonymous":"AB3","energy":-3.42384029,"energy_per_atom":-0.8559600725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.42384029,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0091977,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.971000Z","spacegroup":221},{"id":"mp-1185886","created_at":"2022-09-04T14:47:03.616058Z","structure_string":"Mg2 Hg4\n1.0\n2.630677 4.624049 0.000000\n-2.630677 4.624049 0.000000\n0.000000 4.093366 5.678974\nMg Hg\n2 4\ndirect\n0.895482 0.104518 0.750000 Mg\n0.104518 0.895482 0.250000 Mg\n0.227551 0.437354 0.747264 Hg\n0.772449 0.562646 0.252736 Hg\n0.437354 0.227551 0.247264 Hg\n0.562646 0.772449 0.752736 Hg\n","nsites":6,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":10.227594851991588,"density_atomic":0.04342715902292414,"volume":138.1623881228967,"volume_molar":13.867222483563934,"formula_full":"Mg2 Hg4","formula_reduced":"MgHg2","formula_anonymous":"AB2","energy":-5.13578195,"energy_per_atom":-0.8559636583333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.13578195,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.18e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.183000Z","spacegroup":15},{"id":"mp-1","created_at":"2022-09-04T14:46:54.536581Z","structure_string":"Cs1\n1.0\n-3.055020 3.055020 3.055020\n3.055020 -3.055020 3.055020\n3.055020 3.055020 -3.055020\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n","nsites":1,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9350390306525629,"density_atomic":0.00876794537479071,"volume":114.05180544066401,"volume_molar":68.68360262958124,"formula_full":"Cs1","formula_reduced":"Cs","formula_anonymous":"A","energy":-0.85663276,"energy_per_atom":-0.85663276,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.85663276,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023078,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.081000Z","spacegroup":229},{"id":"mp-1183897","created_at":"2022-09-04T14:44:43.315426Z","structure_string":"Cs20\n1.0\n13.375494 0.000000 0.000000\n0.000000 13.375494 0.000000\n0.000000 0.000000 13.375494\nCs\n20\ndirect\n0.875000 0.703483 0.046517 Cs\n0.062325 0.062325 0.062325 Cs\n0.203483 0.453483 0.125000 Cs\n0.812325 0.312325 0.187675 Cs\n0.453483 0.125000 0.203483 Cs\n0.546517 0.625000 0.296517 Cs\n0.187675 0.812325 0.312325 Cs\n0.796517 0.953483 0.375000 Cs\n0.937675 0.562325 0.437675 Cs\n0.125000 0.203483 0.453483 Cs\n0.625000 0.296517 0.546517 Cs\n0.437675 0.937675 0.562325 Cs\n0.296517 0.546517 0.625000 Cs\n0.687675 0.687675 0.687675 Cs\n0.046517 0.875000 0.703483 Cs\n0.953483 0.375000 0.796517 Cs\n0.312325 0.187675 0.812325 Cs\n0.703483 0.046517 0.875000 Cs\n0.562325 0.437675 0.937675 Cs\n0.375000 0.796517 0.953483 Cs\n","nsites":20,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.844558345187755,"density_atomic":0.008357964131486529,"volume":2392.927235073315,"volume_molar":72.05272319024556,"formula_full":"Cs20","formula_reduced":"Cs","formula_anonymous":"A","energy":-17.13450952,"energy_per_atom":-0.856725476,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.13450952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0715511,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.654000Z","spacegroup":213},{"id":"mp-1095737","created_at":"2022-09-04T14:44:10.097372Z","structure_string":"Li1 La1 Zn2\n1.0\n-5.817550 5.894106 8.302496\n5.817550 -5.894106 8.302496\n5.817550 5.894106 -8.302496\nLi La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.238160 0.238160 Zn\n0.000000 0.761840 0.761840 Zn\n","nsites":4,"nelements":3,"elements":["Li","La","Zn"],"chemical_system":"La-Li-Zn","density":0.4034370262741985,"density_atomic":0.0035126368931415633,"volume":1138.7456550974612,"volume_molar":171.44216562088306,"formula_full":"Li1 La1 Zn2","formula_reduced":"LiLaZn2","formula_anonymous":"ABC2","energy":-3.42706971,"energy_per_atom":-0.8567674275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.42706971,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9999978,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.960000Z","spacegroup":71},{"id":"mp-11464","created_at":"2022-09-04T14:41:50.398132Z","structure_string":"Mg1 Hg2\n1.0\n-1.957061 1.957061 4.481986\n1.957061 -1.957061 4.481986\n1.957061 1.957061 -4.481986\nMg Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666520 0.666520 0.000000 Hg\n0.333480 0.333480 0.000000 Hg\n","nsites":3,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":10.28949687666519,"density_atomic":0.04368999980888058,"volume":68.66559883550765,"volume_molar":13.78379671857064,"formula_full":"Mg1 Hg2","formula_reduced":"MgHg2","formula_anonymous":"AB2","energy":-2.57212256,"energy_per_atom":-0.8573741866666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.57212256,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003275,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.388000Z","spacegroup":139},{"id":"mp-1183694","created_at":"2022-09-04T14:45:58.920184Z","structure_string":"Cs1\n1.0\n-2.685025 2.685025 4.021208\n2.685025 -2.685025 4.021208\n2.685025 2.685025 -4.021208\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n","nsites":1,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9031748818855136,"density_atomic":0.008623564247910042,"volume":115.961332373949,"volume_molar":69.83354662730657,"formula_full":"Cs1","formula_reduced":"Cs","formula_anonymous":"A","energy":-0.85803644,"energy_per_atom":-0.85803644,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.85803644,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.73e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.151000Z","spacegroup":139},{"id":"mp-1342613","created_at":"2022-09-04T14:48:06.293967Z","structure_string":"Na12 Mn3 S6 O24 F8\n1.0\n9.675505 0.000000 0.000000\n-3.161654 9.178620 0.000000\n-2.569585 -5.066624 7.981221\nNa Mn S O F\n12 3 6 24 8\ndirect\n0.491522 0.846144 0.204163 Na\n0.508478 0.153856 0.795837 Na\n0.713798 0.703980 0.440800 Na\n0.286202 0.296020 0.559200 Na\n0.126954 0.694494 0.984901 Na\n0.873046 0.305506 0.015099 Na\n0.445911 0.210684 0.214520 Na\n0.554089 0.789316 0.785480 Na\n0.037977 0.866347 0.633760 Na\n0.962023 0.133653 0.366240 Na\n0.698563 0.634224 0.082556 Na\n0.301437 0.365776 0.917444 Na\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.733473 0.405438 0.356873 S\n0.266527 0.594562 0.643127 S\n0.719287 0.518127 0.816450 S\n0.280713 0.481873 0.183550 S\n0.167058 0.899199 0.227577 S\n0.832942 0.100801 0.772423 S\n0.701652 0.416959 0.972556 O\n0.298348 0.583041 0.027444 O\n0.898814 0.586697 0.670354 O\n0.101186 0.413303 0.329646 O\n0.589729 0.432345 0.358200 O\n0.410271 0.567655 0.641800 O\n0.057132 0.928094 0.362350 O\n0.942868 0.071906 0.637650 O\n0.704614 0.663759 0.827773 O\n0.295386 0.336241 0.172227 O\n0.588211 0.421746 0.789432 O\n0.411789 0.578254 0.210567 O\n0.813260 0.509338 0.421138 O\n0.186740 0.490662 0.578862 O\n0.342798 0.044432 0.107932 O\n0.657202 0.955568 0.892068 O\n0.862766 0.447451 0.184538 O\n0.137234 0.552549 0.815462 O\n0.662993 0.229749 0.473937 O\n0.337007 0.770251 0.526063 O\n0.187225 0.756549 0.300690 O\n0.812775 0.243451 0.699310 O\n0.081292 0.860812 0.133922 O\n0.918708 0.139188 0.866078 O\n0.329025 0.065852 0.505184 F\n0.670975 0.934148 0.494816 F\n0.763258 0.842633 0.174588 F\n0.236742 0.157367 0.825411 F\n0.598560 0.078208 0.265198 F\n0.401440 0.921792 0.734802 F\n0.993276 0.852977 0.902559 F\n0.006724 0.147023 0.097441 F\n","nsites":53,"nelements":5,"elements":["Na","Mn","S","O","F"],"chemical_system":"F-Mn-Na-O-S","density":2.738819255173876,"density_atomic":0.07477484149745375,"volume":708.7945482546395,"volume_molar":8.05369913115104,"formula_full":"Na12 Mn3 S6 O24 F8","formula_reduced":"Na12Mn3S6(O3F)8","formula_anonymous":"A3B6C8D12E24","energy":-45.54653261,"energy_per_atom":-0.8593685398113208,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.35853261,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9588319,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.181000Z","spacegroup":2},{"id":"mp-1185878","created_at":"2022-09-04T14:41:23.545714Z","structure_string":"Mg2 Hg4\n1.0\n1.756447 5.898415 0.000000\n-1.756447 5.898415 0.000000\n0.000000 2.334882 6.711736\nMg Hg\n2 4\ndirect\n0.029082 0.029082 0.719597 Mg\n0.970918 0.970918 0.280403 Mg\n0.642961 0.642961 0.952528 Hg\n0.357039 0.357039 0.047472 Hg\n0.666571 0.666571 0.381271 Hg\n0.333429 0.333429 0.618729 Hg\n","nsites":6,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":10.160804865754224,"density_atomic":0.0431435635739996,"volume":139.07057050836409,"volume_molar":13.958375852914553,"formula_full":"Mg2 Hg4","formula_reduced":"MgHg2","formula_anonymous":"AB2","energy":-5.15716726,"energy_per_atom":-0.8595278766666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.15716726,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023395,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.930000Z","spacegroup":12},{"id":"mp-1096330","created_at":"2022-09-04T14:47:25.764481Z","structure_string":"Li1 Ag1 Hg2\n1.0\n-5.464573 5.757897 8.131084\n5.464573 -5.757897 8.131084\n5.464573 5.757897 -8.131084\nLi Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.244839 0.244839 Hg\n0.000000 0.755161 0.755161 Hg\n","nsites":4,"nelements":3,"elements":["Li","Ag","Hg"],"chemical_system":"Ag-Hg-Li","density":0.8372615481917002,"density_atomic":0.003908691808191634,"volume":1023.3602945151641,"volume_molar":154.07049354413437,"formula_full":"Li1 Ag1 Hg2","formula_reduced":"LiAgHg2","formula_anonymous":"ABC2","energy":-3.43945336,"energy_per_atom":-0.85986334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.43945336,"band_gap":1.0433999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.21e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.904000Z","spacegroup":71},{"id":"mp-862689","created_at":"2022-09-04T14:43:01.253426Z","structure_string":"Cs6 Rb2\n1.0\n5.373780 -9.307660 0.000000\n5.373780 9.307660 0.000000\n0.000000 0.000000 8.714808\nCs Rb\n6 2\ndirect\n0.167849 0.335699 0.250000 Cs\n0.664301 0.832151 0.250000 Cs\n0.167849 0.832151 0.250000 Cs\n0.832151 0.664301 0.750000 Cs\n0.335699 0.167849 0.750000 Cs\n0.832151 0.167849 0.750000 Cs\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n","nsites":8,"nelements":2,"elements":["Cs","Rb"],"chemical_system":"Cs-Rb","density":1.844511870386351,"density_atomic":0.009176599432285914,"volume":871.7826313583766,"volume_molar":65.62497147704167,"formula_full":"Cs6 Rb2","formula_reduced":"Cs3Rb","formula_anonymous":"AB3","energy":-6.88169605,"energy_per_atom":-0.86021200625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.88169605,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3645057,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.901000Z","spacegroup":194},{"id":"mp-11832","created_at":"2022-09-04T14:39:58.717468Z","structure_string":"Cs2\n1.0\n2.756158 -4.773806 0.000000\n2.756158 4.773806 0.000000\n0.000000 0.000000 8.894133\nCs\n2\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n","nsites":2,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.8859032028740623,"density_atomic":0.008545303739618251,"volume":234.04668352834315,"volume_molar":70.47310363094279,"formula_full":"Cs2","formula_reduced":"Cs","formula_anonymous":"A","energy":-1.72060413,"energy_per_atom":-0.860302065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.72060413,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043188,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.956000Z","spacegroup":194}]}