{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=57","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=55","results":[{"id":"mp-1179325","created_at":"2022-09-04T14:40:35.686988Z","structure_string":"Sr1\n1.0\n3.773016 0.000000 0.000000\n0.000000 3.773016 0.000000\n0.000000 0.000000 3.881346\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n","nsites":1,"nelements":1,"elements":["Sr"],"chemical_system":"Sr","density":2.6332536398513917,"density_atomic":0.018098406849403732,"volume":55.25348216121829,"volume_molar":33.27442470550055,"formula_full":"Sr1","formula_reduced":"Sr","formula_anonymous":"A","energy":-1.28977295,"energy_per_atom":-1.28977295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.28977295,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020406,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.499000Z","spacegroup":123},{"id":"mp-867202","created_at":"2022-09-04T14:41:01.748128Z","structure_string":"Sr4\n1.0\n2.132170 -3.693026 0.000000\n2.132170 3.693026 0.000000\n0.000000 0.000000 13.914315\nSr\n4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.750000 Sr\n","nsites":4,"nelements":1,"elements":["Sr"],"chemical_system":"Sr","density":2.6559281214660855,"density_atomic":0.018254249031543546,"volume":219.127064229701,"volume_molar":32.990350627920506,"formula_full":"Sr4","formula_reduced":"Sr","formula_anonymous":"A","energy":-6.7262302,"energy_per_atom":-1.68155755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.7262302,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026313,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.496000Z","spacegroup":194},{"id":"mp-639774","created_at":"2022-09-04T14:47:03.918638Z","structure_string":"Sr1\n1.0\n3.851356 0.000000 0.000000\n0.000000 3.851356 0.000000\n0.000000 0.000000 3.851356\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n","nsites":1,"nelements":1,"elements":["Sr"],"chemical_system":"Sr","density":2.5468968300280372,"density_atomic":0.01750487470546341,"volume":57.126944169894124,"volume_molar":34.402649897976374,"formula_full":"Sr1","formula_reduced":"Sr","formula_anonymous":"A","energy":-1.29243919,"energy_per_atom":-1.29243919,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.29243919,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005104,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.881000Z","spacegroup":221},{"id":"mp-19858","created_at":"2022-09-04T14:46:35.674047Z","structure_string":"Sr1\n1.0\n2.035118 -3.524927 0.000000\n2.035118 3.524927 0.000000\n0.000000 0.000000 3.773756\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n","nsites":1,"nelements":1,"elements":["Sr"],"chemical_system":"Sr","density":2.687254577070871,"density_atomic":0.01846955641025743,"volume":54.14315199495698,"volume_molar":32.60576825037057,"formula_full":"Sr1","formula_reduced":"Sr","formula_anonymous":"A","energy":-1.45310347,"energy_per_atom":-1.45310347,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.45310347,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012871,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.240000Z","spacegroup":191},{"id":"mp-50","created_at":"2022-09-04T14:47:18.301684Z","structure_string":"Ta1\n1.0\n-1.661144 1.661144 1.661144\n1.661144 -1.661144 1.661144\n1.661144 1.661144 -1.661144\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n","nsites":1,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":16.38780394913755,"density_atomic":0.054540380447173645,"volume":18.335038952809896,"volume_molar":11.04161854139042,"formula_full":"Ta1","formula_reduced":"Ta","formula_anonymous":"A","energy":-11.85777763,"energy_per_atom":-11.85777763,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.85777763,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012194,"is_theoretical":false,"updated_at":"2021-11-28T01:38:03.814000Z","spacegroup":229},{"id":"mp-1095086","created_at":"2022-09-04T14:40:20.924558Z","structure_string":"Ta8\n1.0\n2.499592 -4.329421 0.000000\n2.499592 4.329421 0.000000\n0.000000 0.000000 8.617530\nTa\n8\ndirect\n0.000000 0.324161 0.000000 Ta\n0.324161 0.000000 0.000000 Ta\n0.675839 0.675839 0.000000 Ta\n0.000000 0.675839 0.500000 Ta\n0.675839 0.000000 0.500000 Ta\n0.324161 0.324161 0.500000 Ta\n0.666667 0.333333 0.750000 Ta\n0.333333 0.666667 0.250000 Ta\n","nsites":8,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":12.887860858494893,"density_atomic":0.042892192056614264,"volume":186.51413267572428,"volume_molar":14.04017950878159,"formula_full":"Ta8","formula_reduced":"Ta","formula_anonymous":"A","energy":-84.22770651,"energy_per_atom":-10.52846331375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.22770651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.31e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.367000Z","spacegroup":182},{"id":"mp-6986","created_at":"2022-09-04T14:39:21.047726Z","structure_string":"Ta1\n1.0\n0.000000 2.113434 2.113434\n2.113434 0.000000 2.113434\n2.113434 2.113434 0.000000\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n","nsites":1,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":15.914995911810305,"density_atomic":0.05296682426390808,"volume":18.879742440616855,"volume_molar":11.369646648994065,"formula_full":"Ta1","formula_reduced":"Ta","formula_anonymous":"A","energy":-11.6128968,"energy_per_atom":-11.6128968,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.6128968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004769,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.030000Z","spacegroup":225},{"id":"mp-697196","created_at":"2022-09-04T14:45:20.607235Z","structure_string":"Ta22\n1.0\n10.516577 0.000000 0.000000\n0.000000 10.516577 0.000000\n0.000000 0.000000 4.766210\nTa\n22\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.757993 0.432150 0.500000 Ta\n0.242007 0.567850 0.500000 Ta\n0.932150 0.742007 0.000000 Ta\n0.067850 0.257993 0.000000 Ta\n0.432150 0.757993 0.500000 Ta\n0.567850 0.242007 0.500000 Ta\n0.257993 0.067850 0.000000 Ta\n0.742007 0.932150 0.000000 Ta\n0.035151 0.377732 0.500000 Ta\n0.964849 0.622268 0.500000 Ta\n0.877732 0.464849 0.000000 Ta\n0.122268 0.535151 0.000000 Ta\n0.377732 0.035151 0.500000 Ta\n0.622268 0.964849 0.500000 Ta\n0.535151 0.122268 0.000000 Ta\n0.464849 0.877732 0.000000 Ta\n0.102360 0.102360 0.500000 Ta\n0.897640 0.897640 0.500000 Ta\n0.602360 0.397640 0.000000 Ta\n0.397640 0.602360 0.000000 Ta\n","nsites":22,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":12.540166189192433,"density_atomic":0.04173502666690942,"volume":527.1351609664409,"volume_molar":14.42946426765984,"formula_full":"Ta22","formula_reduced":"Ta","formula_anonymous":"A","energy":-234.22388242,"energy_per_atom":-10.64654011,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-234.22388242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2761434,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.648000Z","spacegroup":136},{"id":"mp-1076923","created_at":"2022-09-04T14:46:37.785596Z","structure_string":"Ta4\n1.0\n22.698565 0.000000 0.000000\n0.000000 22.698565 0.000000\n0.000000 0.000000 2.404058\nTa\n4\ndirect\n0.318632 0.818632 0.000000 Ta\n0.681368 0.181368 0.000000 Ta\n0.818632 0.681368 0.000000 Ta\n0.181368 0.318632 0.000000 Ta\n","nsites":4,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":0.9703330921975528,"density_atomic":0.003229373268876708,"volume":1238.6304297958543,"volume_molar":186.48016994624834,"formula_full":"Ta4","formula_reduced":"Ta","formula_anonymous":"A","energy":-26.84558027,"energy_per_atom":-6.7113950675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.84558027,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.8204823,"is_theoretical":false,"updated_at":"2021-11-28T01:37:38.907000Z","spacegroup":127},{"id":"mp-1217805","created_at":"2022-09-04T14:48:30.400982Z","structure_string":"Ta2\n1.0\n0.000000 0.000000 2.406720\n21.717152 0.000333 0.000000\n0.000333 21.717152 0.000000\nTa\n2\ndirect\n0.000000 0.818090 0.318090 Ta\n0.000000 0.181910 0.681910 Ta\n","nsites":2,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":0.5294211455763627,"density_atomic":0.0017619707183544225,"volume":1135.092643235231,"volume_molar":341.7843836601512,"formula_full":"Ta2","formula_reduced":"Ta","formula_anonymous":"A","energy":-13.42462527,"energy_per_atom":-6.712312635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.42462527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4133939,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.531000Z","spacegroup":65},{"id":"mp-569794","created_at":"2022-09-04T14:40:08.941607Z","structure_string":"Ta30\n1.0\n10.249574 0.000000 0.000000\n0.000000 10.249574 0.000000\n0.000000 0.000000 5.344220\nTa\n30\ndirect\n0.965334 0.370954 0.000000 Ta\n0.261126 0.932835 0.500000 Ta\n0.318645 0.681355 0.750025 Ta\n0.129046 0.465334 0.500000 Ta\n0.870954 0.534666 0.500000 Ta\n0.895267 0.104733 0.000000 Ta\n0.818645 0.818645 0.749975 Ta\n0.181355 0.181355 0.250025 Ta\n0.738874 0.067165 0.500000 Ta\n0.932835 0.261126 0.500000 Ta\n0.395267 0.395267 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.534666 0.870954 0.500000 Ta\n0.567165 0.761126 0.000000 Ta\n0.034666 0.629046 0.000000 Ta\n0.604733 0.604733 0.500000 Ta\n0.318645 0.681355 0.249975 Ta\n0.681355 0.318645 0.249975 Ta\n0.000000 0.000000 0.500000 Ta\n0.818645 0.818645 0.250025 Ta\n0.681355 0.318645 0.750025 Ta\n0.432835 0.238874 0.000000 Ta\n0.181355 0.181355 0.749975 Ta\n0.761126 0.567165 0.000000 Ta\n0.370954 0.965334 0.000000 Ta\n0.067165 0.738874 0.500000 Ta\n0.629046 0.034666 0.000000 Ta\n0.465334 0.129046 0.500000 Ta\n0.238874 0.432835 0.000000 Ta\n0.104733 0.895267 0.000000 Ta\n","nsites":30,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":16.05565001820195,"density_atomic":0.05343493631222564,"volume":561.4304436465877,"volume_molar":11.270043861963329,"formula_full":"Ta30","formula_reduced":"Ta","formula_anonymous":"A","energy":-355.52228672,"energy_per_atom":-11.850742890666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.52228672,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005386,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.787000Z","spacegroup":136},{"id":"mp-42","created_at":"2022-09-04T14:45:55.641681Z","structure_string":"Ta30\n1.0\n10.247595 0.000000 0.000000\n0.000000 10.247595 0.000000\n0.000000 0.000000 5.346795\nTa\n30\ndirect\n0.500000 0.000000 0.242766 Ta\n0.000000 0.500000 0.757234 Ta\n0.761328 0.932621 0.243334 Ta\n0.067379 0.761328 0.756666 Ta\n0.932621 0.238672 0.756666 Ta\n0.238672 0.067379 0.243334 Ta\n0.261328 0.567379 0.756666 Ta\n0.738672 0.432621 0.756666 Ta\n0.432621 0.261328 0.243334 Ta\n0.567379 0.738672 0.243334 Ta\n0.034779 0.871117 0.257104 Ta\n0.128883 0.034779 0.742896 Ta\n0.871117 0.965221 0.742896 Ta\n0.965221 0.128883 0.257104 Ta\n0.534779 0.628883 0.742896 Ta\n0.465221 0.371117 0.742896 Ta\n0.371117 0.534779 0.257104 Ta\n0.628883 0.465221 0.257104 Ta\n0.604817 0.895183 0.740514 Ta\n0.104817 0.604817 0.259486 Ta\n0.895183 0.395183 0.259486 Ta\n0.395183 0.104817 0.740514 Ta\n0.818988 0.681012 0.002362 Ta\n0.318988 0.818988 0.997638 Ta\n0.681012 0.181012 0.997638 Ta\n0.181012 0.318988 0.002362 Ta\n0.318717 0.818717 0.499279 Ta\n0.181283 0.318717 0.500721 Ta\n0.818717 0.681283 0.500721 Ta\n0.681283 0.181283 0.499279 Ta\n","nsites":30,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":16.05411656414693,"density_atomic":0.053429832811609054,"volume":561.4840702530086,"volume_molar":11.271120351871154,"formula_full":"Ta30","formula_reduced":"Ta","formula_anonymous":"A","energy":-355.52333963,"energy_per_atom":-11.850777987666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.52333963,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043754,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.718000Z","spacegroup":113}]}