{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=27","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=25","results":[{"id":"mp-10679","created_at":"2022-09-04T14:42:24.616798Z","structure_string":"Ba1\n1.0\n0.000000 3.175953 3.175953\n3.175953 0.000000 3.175953\n3.175953 3.175953 0.000000\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n","nsites":1,"nelements":1,"elements":["Ba"],"chemical_system":"Ba","density":3.5592036170430794,"density_atomic":0.015608019677661131,"volume":64.0696270668625,"volume_molar":38.583631263735185,"formula_full":"Ba1","formula_reduced":"Ba","formula_anonymous":"A","energy":-1.90597036,"energy_per_atom":-1.90597036,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.90597036,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008191,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.207000Z","spacegroup":225},{"id":"mp-1094073","created_at":"2022-09-04T14:46:59.645000Z","structure_string":"S4\n1.0\n4.241282 0.000000 0.000000\n0.000000 4.008472 0.000000\n0.000000 0.090296 6.129514\nS\n4\ndirect\n0.669086 0.283853 0.758376 S\n0.830914 0.783853 0.758376 S\n0.169086 0.216147 0.241624 S\n0.330914 0.716147 0.241624 S\n","nsites":4,"nelements":1,"elements":["S"],"chemical_system":"S","density":2.043799497537599,"density_atomic":0.03838468193869357,"volume":104.20823614973897,"volume_molar":15.688916661126214,"formula_full":"S4","formula_reduced":"S","formula_anonymous":"A","energy":-14.2623216,"energy_per_atom":-3.5655804,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.2623216,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.65e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.946000Z","spacegroup":14},{"id":"mp-1178958","created_at":"2022-09-04T14:39:20.455158Z","structure_string":"U8\n1.0\n6.607670 0.000000 0.000000\n0.000000 5.097814 0.000000\n0.000000 0.000000 4.890638\nU\n8\ndirect\n0.792821 0.314219 0.250000 U\n0.292821 0.185781 0.250000 U\n0.207179 0.685781 0.750000 U\n0.707179 0.814219 0.750000 U\n0.545517 0.700203 0.250000 U\n0.045517 0.799797 0.250000 U\n0.454483 0.299797 0.750000 U\n0.954483 0.200203 0.750000 U\n","nsites":8,"nelements":1,"elements":["U"],"chemical_system":"U","density":19.19424099589596,"density_atomic":0.04856150502835712,"volume":164.7395399983683,"volume_molar":12.4010587325978,"formula_full":"U8","formula_reduced":"U","formula_anonymous":"A","energy":-90.01564688,"energy_per_atom":-11.25195586,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.01564688,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0071443,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.944000Z","spacegroup":62},{"id":"mp-10641","created_at":"2022-09-04T14:46:00.561683Z","structure_string":"Sc1\n1.0\n-1.838692 1.838692 1.838692\n1.838692 -1.838692 1.838692\n1.838692 1.838692 -1.838692\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n","nsites":1,"nelements":1,"elements":["Sc"],"chemical_system":"Sc","density":3.0022645557526153,"density_atomic":0.04021731281916648,"volume":24.86491338932588,"volume_molar":14.974000841572915,"formula_full":"Sc1","formula_reduced":"Sc","formula_anonymous":"A","energy":-6.23023766,"energy_per_atom":-6.23023766,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.23023766,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0707755,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.804000Z","spacegroup":229},{"id":"mp-79","created_at":"2022-09-04T14:40:23.632045Z","structure_string":"Zn2\n1.0\n1.313365 -2.274816 0.000000\n1.313365 2.274816 0.000000\n0.000000 0.000000 5.207234\nZn\n2\ndirect\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n","nsites":2,"nelements":1,"elements":["Zn"],"chemical_system":"Zn","density":6.981484851061407,"density_atomic":0.06427782797692787,"volume":31.114928163376767,"volume_molar":9.36892385685716,"formula_full":"Zn2","formula_reduced":"Zn","formula_anonymous":"A","energy":-2.51948722,"energy_per_atom":-1.25974361,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.51948722,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006365,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.321000Z","spacegroup":194},{"id":"mp-83","created_at":"2022-09-04T14:40:10.623824Z","structure_string":"S56\n1.0\n6.677540 0.000000 0.000000\n0.000000 16.643974 0.000000\n0.000000 15.732278 16.677552\nS\n56\ndirect\n0.084379 0.697093 0.786514 S\n0.584379 0.302907 0.713486 S\n0.915621 0.302907 0.213486 S\n0.415621 0.697093 0.286514 S\n0.813808 0.955757 0.426855 S\n0.313808 0.044243 0.073145 S\n0.186192 0.044243 0.573145 S\n0.686192 0.955757 0.926855 S\n0.125190 0.761166 0.417384 S\n0.625190 0.238834 0.082616 S\n0.874810 0.238834 0.582616 S\n0.374810 0.761166 0.917384 S\n0.131415 0.941607 0.441832 S\n0.631415 0.058393 0.058168 S\n0.868585 0.058393 0.558168 S\n0.368585 0.941607 0.941832 S\n0.245171 0.900304 0.319460 S\n0.745171 0.099696 0.180540 S\n0.754829 0.099696 0.680540 S\n0.254829 0.900304 0.819460 S\n0.251179 0.017982 0.336013 S\n0.751179 0.982018 0.163987 S\n0.748821 0.982018 0.663987 S\n0.248821 0.017982 0.836013 S\n0.173347 0.540658 0.886172 S\n0.673347 0.459342 0.613828 S\n0.826653 0.459342 0.113828 S\n0.326653 0.540658 0.386172 S\n0.149051 0.719331 0.688801 S\n0.649051 0.280669 0.811199 S\n0.850949 0.280669 0.311199 S\n0.350949 0.719331 0.188801 S\n0.491686 0.556532 0.882678 S\n0.991686 0.443468 0.617322 S\n0.508314 0.443468 0.117322 S\n0.008314 0.556532 0.382678 S\n0.466647 0.741770 0.678293 S\n0.966647 0.258230 0.821707 S\n0.533353 0.258230 0.321707 S\n0.033353 0.741770 0.178293 S\n0.603633 0.483599 0.849053 S\n0.103633 0.516401 0.650947 S\n0.396367 0.516401 0.150947 S\n0.896367 0.483599 0.349053 S\n0.587816 0.604932 0.715289 S\n0.087816 0.395068 0.784711 S\n0.412184 0.395068 0.284711 S\n0.912184 0.604932 0.215289 S\n0.731051 0.799504 0.480625 S\n0.231051 0.200496 0.019375 S\n0.268949 0.200496 0.519375 S\n0.768949 0.799504 0.980625 S\n0.807253 0.780653 0.403988 S\n0.307253 0.219347 0.096012 S\n0.192747 0.219347 0.596012 S\n0.692747 0.780653 0.903988 S\n","nsites":56,"nelements":1,"elements":["S"],"chemical_system":"S","density":1.608653611672593,"density_atomic":0.030212189262194104,"volume":1853.556507077604,"volume_molar":19.932818200420122,"formula_full":"S56","formula_reduced":"S","formula_anonymous":"A","energy":-229.51191942000003,"energy_per_atom":-4.0984271325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.51191942000003,"band_gap":2.5657,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0415997,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.388000Z","spacegroup":14},{"id":"mp-7236","created_at":"2022-09-04T14:39:27.576899Z","structure_string":"Ho1\n1.0\n-1.991490 1.991490 1.991490\n1.991490 -1.991490 1.991490\n1.991490 1.991490 -1.991490\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n","nsites":1,"nelements":1,"elements":["Ho"],"chemical_system":"Ho","density":8.66872483624529,"density_atomic":0.03165232517078593,"volume":31.593255617219796,"volume_molar":19.02590323935583,"formula_full":"Ho1","formula_reduced":"Ho","formula_anonymous":"A","energy":-4.43741302,"energy_per_atom":-4.43741302,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.43741302,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0125212,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.655000Z","spacegroup":229},{"id":"mp-82","created_at":"2022-09-04T14:46:56.513360Z","structure_string":"Tl2\n1.0\n1.774462 -3.073459 0.000000\n1.774462 3.073459 0.000000\n0.000000 0.000000 5.738414\nTl\n2\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n","nsites":2,"nelements":1,"elements":["Tl"],"chemical_system":"Tl","density":10.844474197016705,"density_atomic":0.031953173329323514,"volume":62.591592371346565,"volume_molar":18.84676898263956,"formula_full":"Tl2","formula_reduced":"Tl","formula_anonymous":"A","energy":-4.71752371,"energy_per_atom":-2.358761855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.71752371,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016658,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.560000Z","spacegroup":194},{"id":"mp-568938","created_at":"2022-09-04T14:47:44.180667Z","structure_string":"Pr1\n1.0\n-2.190241 2.190241 1.882178\n2.190241 -2.190241 1.882178\n2.190241 2.190241 -1.882178\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n","nsites":1,"nelements":1,"elements":["Pr"],"chemical_system":"Pr","density":6.478570310382371,"density_atomic":0.027688249960993765,"volume":36.11640321828808,"volume_molar":21.749806392544777,"formula_full":"Pr1","formula_reduced":"Pr","formula_anonymous":"A","energy":-4.69519808,"energy_per_atom":-4.69519808,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.69519808,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000501,"is_theoretical":false,"updated_at":"2021-11-28T01:38:18.762000Z","spacegroup":139},{"id":"mp-570316","created_at":"2022-09-04T14:45:57.999681Z","structure_string":"B48\n1.0\n8.674871 0.000000 0.000000\n0.000000 8.674871 0.000000\n0.000000 0.000000 4.972098\nB\n48\ndirect\n0.829242 0.416037 0.906431 B\n0.583004 0.727210 0.411368 B\n0.583004 0.272790 0.588632 B\n0.125057 0.874943 0.617215 B\n0.374943 0.625057 0.882785 B\n0.583963 0.170758 0.906431 B\n0.416996 0.727210 0.588632 B\n0.272790 0.416996 0.411368 B\n0.416037 0.170758 0.093569 B\n0.416996 0.272790 0.411368 B\n0.755846 0.755846 0.576735 B\n0.255846 0.255846 0.923265 B\n0.329242 0.083963 0.406431 B\n0.170758 0.583963 0.906431 B\n0.244154 0.755846 0.423265 B\n0.416037 0.829242 0.906431 B\n0.772790 0.916996 0.088632 B\n0.255846 0.744154 0.076735 B\n0.083004 0.772790 0.911368 B\n0.670758 0.083963 0.593569 B\n0.227210 0.083004 0.088632 B\n0.727210 0.583004 0.411368 B\n0.916037 0.670758 0.406431 B\n0.244154 0.244154 0.576735 B\n0.916996 0.227210 0.911368 B\n0.829242 0.583963 0.093569 B\n0.083963 0.670758 0.593569 B\n0.625057 0.374943 0.882785 B\n0.916037 0.329242 0.593569 B\n0.744154 0.255846 0.076735 B\n0.125057 0.125057 0.382785 B\n0.744154 0.744154 0.923265 B\n0.227210 0.916996 0.911368 B\n0.772790 0.083004 0.911368 B\n0.272790 0.583004 0.588632 B\n0.916996 0.772790 0.088632 B\n0.083004 0.227210 0.088632 B\n0.727210 0.416996 0.588632 B\n0.670758 0.916037 0.406431 B\n0.583963 0.829242 0.093569 B\n0.625057 0.625057 0.117215 B\n0.170758 0.416037 0.093569 B\n0.755846 0.244154 0.423265 B\n0.874943 0.125057 0.617215 B\n0.083963 0.329242 0.406431 B\n0.374943 0.374943 0.117215 B\n0.874943 0.874943 0.382785 B\n0.329242 0.916037 0.593569 B\n","nsites":48,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.3029816182292575,"density_atomic":0.12828489018094494,"volume":374.1672143328519,"volume_molar":4.694349234353175,"formula_full":"B48","formula_reduced":"B","formula_anonymous":"A","energy":-313.15800344,"energy_per_atom":-6.524125071666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.15800344,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006031,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.123000Z","spacegroup":134},{"id":"mp-972981","created_at":"2022-09-04T14:42:04.406659Z","structure_string":"K2\n1.0\n2.387715 -4.017190 0.000000\n2.387715 4.017190 0.000000\n0.000000 0.000000 7.650362\nK\n2\ndirect\n0.820386 0.179614 0.250000 K\n0.179614 0.820386 0.750000 K\n","nsites":2,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.8847490924390605,"density_atomic":0.013627404705042282,"volume":146.7630882980953,"volume_molar":44.19139880517194,"formula_full":"K2","formula_reduced":"K","formula_anonymous":"A","energy":-2.20404441,"energy_per_atom":-1.102022205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.20404441,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001087,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.695000Z","spacegroup":63},{"id":"mp-1193675","created_at":"2022-09-04T14:41:03.900007Z","structure_string":"B28\n1.0\n5.042795 0.000000 0.000000\n0.000000 5.612143 0.000000\n0.000000 0.000000 6.914994\nB\n28\ndirect\n0.652508 0.907293 0.290688 B\n0.347492 0.092707 0.290688 B\n0.152508 0.592707 0.209312 B\n0.847492 0.407293 0.209312 B\n0.347492 0.092707 0.709312 B\n0.652508 0.907293 0.709312 B\n0.847492 0.407293 0.790688 B\n0.152508 0.592707 0.790688 B\n0.147683 0.771529 0.000000 B\n0.852317 0.228471 0.000000 B\n0.647683 0.728471 0.500000 B\n0.352317 0.271529 0.500000 B\n0.835416 0.991573 0.500000 B\n0.164584 0.008427 0.500000 B\n0.335416 0.508427 0.000000 B\n0.664584 0.491573 0.000000 B\n0.338900 0.781252 0.374261 B\n0.661100 0.218748 0.374261 B\n0.838900 0.718748 0.125739 B\n0.161100 0.281252 0.125739 B\n0.661100 0.218748 0.625739 B\n0.338900 0.781252 0.625739 B\n0.161100 0.281252 0.874261 B\n0.838900 0.718748 0.874261 B\n0.170314 0.520950 0.500000 B\n0.829686 0.479050 0.500000 B\n0.670314 0.979050 0.000000 B\n0.329686 0.020950 0.000000 B\n","nsites":28,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.568509323162839,"density_atomic":0.14307579958194735,"volume":195.70046144640182,"volume_molar":4.209056162954233,"formula_full":"B28","formula_reduced":"B","formula_anonymous":"A","energy":-186.25475852,"energy_per_atom":-6.6519556614285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.25475852,"band_gap":1.5133,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003855,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.126000Z","spacegroup":58}]}