{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=39","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=37","results":[{"id":"mp-1095534","created_at":"2022-09-04T14:46:24.019461Z","structure_string":"C12\n1.0\n-4.749414 4.749414 1.419953\n4.749414 -4.749414 1.419953\n4.749414 4.749414 -1.419953\nC\n12\ndirect\n0.785284 0.214716 0.000000 C\n0.214716 0.785284 0.000000 C\n0.214716 0.214716 0.429432 C\n0.785284 0.785284 0.570568 C\n0.936386 0.237972 0.174358 C\n0.063614 0.762028 0.825642 C\n0.063614 0.237972 0.301586 C\n0.936386 0.762028 0.698414 C\n0.762028 0.936386 0.698414 C\n0.237972 0.063614 0.301586 C\n0.237972 0.936386 0.174358 C\n0.762028 0.063614 0.825642 C\n","nsites":12,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.8680334376516554,"density_atomic":0.09366281990069324,"volume":128.11914068702072,"volume_molar":6.429595827229016,"formula_full":"C12","formula_reduced":"C","formula_anonymous":"A","energy":-97.26369794,"energy_per_atom":-8.105308161666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.26369794,"band_gap":0.3717999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.13e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.015000Z","spacegroup":139},{"id":"mp-1271128","created_at":"2022-09-04T14:46:29.187304Z","structure_string":"Fe2\n1.0\n2.188900 0.338815 -0.981869\n-0.800792 2.065459 -0.981202\n1.069631 1.855593 3.028954\nFe\n2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n","nsites":2,"nelements":1,"elements":["Fe"],"chemical_system":"Fe","density":8.517772775708455,"density_atomic":0.09185285457021893,"volume":21.77395584881966,"volume_molar":6.556291351180864,"formula_full":"Fe2","formula_reduced":"Fe","formula_anonymous":"A","energy":-16.74177322,"energy_per_atom":-8.37088661,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.74177322,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0002904,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.181000Z","spacegroup":139},{"id":"mp-1057273","created_at":"2022-09-04T14:46:41.970948Z","structure_string":"Pb2\n1.0\n-1.821154 -3.154331 0.000000\n1.821154 -3.154331 0.000000\n0.000000 -2.102887 6.062357\nPb\n2\ndirect\n0.098344 0.098344 0.704969 Pb\n0.901656 0.901656 0.295031 Pb\n","nsites":2,"nelements":1,"elements":["Pb"],"chemical_system":"Pb","density":9.87969198211149,"density_atomic":0.028714718051293272,"volume":69.65069259699462,"volume_molar":20.97231374252958,"formula_full":"Pb2","formula_reduced":"Pb","formula_anonymous":"A","energy":-7.21175823,"energy_per_atom":-3.605879115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.21175823,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001925,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.441000Z","spacegroup":166},{"id":"mp-557869","created_at":"2022-09-04T14:46:42.607016Z","structure_string":"S48\n1.0\n11.599142 0.000000 0.000000\n0.000000 11.858253 0.000000\n0.000000 1.724424 11.735367\nS\n48\ndirect\n0.319742 0.212544 0.730353 S\n0.017637 0.950298 0.961469 S\n0.819742 0.787456 0.269647 S\n0.076159 0.659723 0.245731 S\n0.154623 0.453340 0.950970 S\n0.851140 0.723281 0.746024 S\n0.593105 0.846393 0.775079 S\n0.180247 0.764479 0.134887 S\n0.980835 0.757914 0.341583 S\n0.441604 0.833155 0.336174 S\n0.068583 0.299605 0.960866 S\n0.689669 0.753482 0.675058 S\n0.517637 0.049702 0.038531 S\n0.490000 0.736580 0.882034 S\n0.093105 0.153607 0.224921 S\n0.319300 0.054703 0.830366 S\n0.845859 0.924655 0.001855 S\n0.941604 0.166845 0.663826 S\n0.235725 0.928428 0.499117 S\n0.381466 0.562254 0.449756 S\n0.576159 0.340277 0.754269 S\n0.173955 0.657244 0.610796 S\n0.735725 0.071572 0.500883 S\n0.353190 0.437529 0.159765 S\n0.407507 0.940845 0.453884 S\n0.351140 0.276719 0.253976 S\n0.601494 0.204939 0.022492 S\n0.819300 0.945297 0.169634 S\n0.568583 0.700395 0.039134 S\n0.907507 0.059155 0.546116 S\n0.510088 0.682796 0.418659 S\n0.320724 0.558478 0.613753 S\n0.326158 0.424117 0.990306 S\n0.189669 0.246518 0.324942 S\n0.826158 0.575883 0.009694 S\n0.480835 0.242086 0.658417 S\n0.673955 0.342756 0.389204 S\n0.990000 0.263420 0.117966 S\n0.217500 0.816326 0.648350 S\n0.680247 0.235521 0.865113 S\n0.345859 0.075345 0.998145 S\n0.853190 0.562471 0.840235 S\n0.654623 0.546660 0.049030 S\n0.010088 0.317204 0.581341 S\n0.881466 0.437746 0.550244 S\n0.717500 0.183674 0.351650 S\n0.820724 0.441522 0.386247 S\n0.101494 0.795061 0.977508 S\n","nsites":48,"nelements":1,"elements":["S"],"chemical_system":"S","density":1.5833551030390092,"density_atomic":0.029737056937035322,"volume":1614.1476307367702,"volume_molar":20.25130049941111,"formula_full":"S48","formula_reduced":"S","formula_anonymous":"A","energy":-198.50822487,"energy_per_atom":-4.1355880181249995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.50822487,"band_gap":2.5243,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.885000Z","spacegroup":4},{"id":"mp-973198","created_at":"2022-09-04T14:47:01.119809Z","structure_string":"Na3\n1.0\n9.071428 -1.878269 0.000000\n9.071428 1.878269 0.000000\n8.682526 0.000000 3.229929\nNa\n3\ndirect\n0.000000 0.000000 0.000000 Na\n0.777797 0.777797 0.777797 Na\n0.222203 0.222203 0.222203 Na\n","nsites":3,"nelements":1,"elements":["Na"],"chemical_system":"Na","density":1.0405154780169257,"density_atomic":0.027256170331353812,"volume":110.06682022928898,"volume_molar":22.094596147546458,"formula_full":"Na3","formula_reduced":"Na","formula_anonymous":"A","energy":-3.943956650000001,"energy_per_atom":-1.314652216666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.943956650000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0056305,"is_theoretical":false,"updated_at":"2021-11-28T01:37:52.399000Z","spacegroup":166},{"id":"mp-10752","created_at":"2022-09-04T14:47:05.919791Z","structure_string":"Er1\n1.0\n0.000000 2.479631 2.479631\n2.479631 0.000000 2.479631\n2.479631 2.479631 0.000000\nEr\n1\ndirect\n0.000000 0.000000 0.000000 Er\n","nsites":1,"nelements":1,"elements":["Er"],"chemical_system":"Er","density":9.108511817257998,"density_atomic":0.032795090426588104,"volume":30.49236904037519,"volume_molar":18.36293384670055,"formula_full":"Er1","formula_reduced":"Er","formula_anonymous":"A","energy":-4.5408031,"energy_per_atom":-4.5408031,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.5408031,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026353,"is_theoretical":false,"updated_at":"2021-11-28T01:37:54.704000Z","spacegroup":225},{"id":"mp-159","created_at":"2022-09-04T14:47:11.827059Z","structure_string":"Nd1\n1.0\n0.000000 2.607924 2.607924\n2.607924 0.000000 2.607924\n2.607924 2.607924 0.000000\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n","nsites":1,"nelements":1,"elements":["Nd"],"chemical_system":"Nd","density":6.751900663186124,"density_atomic":0.028189359690863777,"volume":35.47437795559797,"volume_molar":21.3631697422052,"formula_full":"Nd1","formula_reduced":"Nd","formula_anonymous":"A","energy":-4.75913303,"energy_per_atom":-4.75913303,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.75913303,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003862,"is_theoretical":false,"updated_at":"2021-11-28T01:37:55.223000Z","spacegroup":225},{"id":"mp-1055908","created_at":"2022-09-04T14:48:20.201921Z","structure_string":"Mn1\n1.0\n-1.399720 1.399720 1.399720\n1.399720 -1.399720 1.399720\n1.399720 1.399720 -1.399720\nMn\n1\ndirect\n0.000000 0.000000 0.000000 Mn\n","nsites":1,"nelements":1,"elements":["Mn"],"chemical_system":"Mn","density":8.316465736956358,"density_atomic":0.0911625583163287,"volume":10.969415717032193,"volume_molar":6.60593655029242,"formula_full":"Mn1","formula_reduced":"Mn","formula_anonymous":"A","energy":-9.01655097,"energy_per_atom":-9.01655097,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.01655097,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9172939,"is_theoretical":false,"updated_at":"2021-11-28T01:39:06.264000Z","spacegroup":229},{"id":"mp-568363","created_at":"2022-09-04T14:48:14.909600Z","structure_string":"C4\n1.0\n1.233371 -2.138533 0.000000\n1.233371 2.138533 0.000000\n0.000000 0.000000 8.149903\nC\n4\ndirect\n0.583259 0.416741 0.234124 C\n0.416741 0.583259 0.765876 C\n0.916741 0.083259 0.234124 C\n0.083259 0.916741 0.765876 C\n","nsites":4,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.8556039302537173,"density_atomic":0.09303960690599922,"volume":42.992443036021456,"volume_molar":6.472663589480074,"formula_full":"C4","formula_reduced":"C","formula_anonymous":"A","energy":-36.88164632,"energy_per_atom":-9.22041158,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.88164632,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:35.324000Z","spacegroup":67},{"id":"mp-579909","created_at":"2022-09-04T14:48:14.376274Z","structure_string":"C8\n1.0\n2.457578 -2.744372 0.000000\n2.457578 2.744372 0.000000\n0.000000 0.000000 6.265439\nC\n8\ndirect\n0.500000 0.000000 0.108975 C\n0.125593 0.874407 0.804944 C\n0.125593 0.874407 0.195056 C\n0.000000 0.500000 0.891025 C\n0.000000 0.500000 0.108975 C\n0.500000 0.000000 0.891025 C\n0.874407 0.125593 0.804944 C\n0.874407 0.125593 0.195056 C\n","nsites":8,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.8878853303336278,"density_atomic":0.09465818979690714,"volume":84.51461006347485,"volume_molar":6.361985975984476,"formula_full":"C8","formula_reduced":"C","formula_anonymous":"A","energy":-66.26931423,"energy_per_atom":-8.28366427875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.26931423,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005611,"is_theoretical":true,"updated_at":"2021-11-28T01:38:33.219000Z","spacegroup":65},{"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-989695","created_at":"2022-09-04T14:46:56.119189Z","structure_string":"Cu4\n1.0\n1.278814 -2.214971 0.000000\n1.278814 2.214971 0.000000\n0.000000 0.000000 8.343082\nCu\n4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333333 0.666667 0.250000 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333333 0.750000 Cu\n","nsites":4,"nelements":1,"elements":["Cu"],"chemical_system":"Cu","density":8.930286104733547,"density_atomic":0.08463072415000558,"volume":47.26415897032988,"volume_molar":7.11578545555858,"formula_full":"Cu4","formula_reduced":"Cu","formula_anonymous":"A","energy":-16.37376234,"energy_per_atom":-4.093440585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.37376234,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.828000Z","spacegroup":194}]}