{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=29","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=27","results":[{"id":"mp-1017544","created_at":"2022-09-04T14:47:05.977800Z","structure_string":"Zr1 Ru3\n1.0\n3.975697 0.000000 0.000000\n0.000000 3.975697 0.000000\n0.000000 0.000000 3.975697\nZr Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":10.422780866850673,"density_atomic":0.06365318761820803,"volume":62.84052927548593,"volume_molar":9.460862818246927,"formula_full":"Zr1 Ru3","formula_reduced":"ZrRu3","formula_anonymous":"AB3","energy":-36.97339844,"energy_per_atom":-9.24334961,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.97339844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005944,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.311000Z","spacegroup":221},{"id":"mp-1188033","created_at":"2022-09-04T14:46:56.890616Z","structure_string":"Zr2 Ru6\n1.0\n2.856050 -4.946824 0.000000\n2.856050 4.946824 0.000000\n0.000000 0.000000 4.447447\nZr Ru\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.163719 0.327437 0.250000 Ru\n0.672563 0.836281 0.250000 Ru\n0.163719 0.836281 0.250000 Ru\n0.836281 0.672563 0.750000 Ru\n0.327437 0.163719 0.750000 Ru\n0.836281 0.163719 0.750000 Ru\n","nsites":8,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":10.423663780896627,"density_atomic":0.06365857968143336,"volume":125.6704130069254,"volume_molar":9.460061456187995,"formula_full":"Zr2 Ru6","formula_reduced":"ZrRu3","formula_anonymous":"AB3","energy":-73.81574443,"energy_per_atom":-9.22696805375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.81574443,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0656433,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.822000Z","spacegroup":194},{"id":"mp-569979","created_at":"2022-09-04T14:41:11.906437Z","structure_string":"Zr4 Ru8\n1.0\n2.599985 -4.503306 0.000000\n2.599985 4.503306 0.000000\n0.000000 0.000000 8.585561\nZr Ru\n4 8\ndirect\n0.333333 0.666667 0.433681 Zr\n0.666667 0.333333 0.566319 Zr\n0.666667 0.333333 0.933681 Zr\n0.333333 0.666667 0.066319 Zr\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.828121 0.171879 0.250000 Ru\n0.828121 0.656243 0.250000 Ru\n0.343757 0.171879 0.250000 Ru\n0.171879 0.828121 0.750000 Ru\n0.171879 0.343757 0.750000 Ru\n0.656243 0.828121 0.750000 Ru\n","nsites":12,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":9.692034084217662,"density_atomic":0.05968707154870411,"volume":201.04856359401228,"volume_molar":10.089522912991278,"formula_full":"Zr4 Ru8","formula_reduced":"ZrRu2","formula_anonymous":"AB2","energy":-112.84354849,"energy_per_atom":-9.403629040833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.84354849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005983,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.139000Z","spacegroup":194},{"id":"mp-214","created_at":"2022-09-04T14:46:42.268181Z","structure_string":"Zr1 Ru1\n1.0\n3.282356 0.000000 0.000000\n0.000000 3.282356 0.000000\n0.000000 0.000000 3.282356\nZr Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ru\n","nsites":2,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":9.02937695427734,"density_atomic":0.056555252907058436,"volume":35.36364700351977,"volume_molar":10.648243002107415,"formula_full":"Zr1 Ru1","formula_reduced":"ZrRu","formula_anonymous":"AB","energy":-19.13700874,"energy_per_atom":-9.56850437,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.13700874,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.816000Z","spacegroup":221},{"id":"mp-229","created_at":"2022-09-04T14:44:08.899033Z","structure_string":"Zr1 Rh3\n1.0\n3.973411 0.000000 0.000000\n0.000000 3.973411 0.000000\n0.000000 0.000000 3.973411\nZr Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n","nsites":4,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":10.586539284709414,"density_atomic":0.0637631145191064,"volume":62.732192901295825,"volume_molar":9.444552395876906,"formula_full":"Zr1 Rh3","formula_reduced":"ZrRh3","formula_anonymous":"AB3","energy":-33.33430362,"energy_per_atom":-8.333575905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.33430362,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0056767,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.701000Z","spacegroup":221},{"id":"mp-669917","created_at":"2022-09-04T14:42:20.704483Z","structure_string":"Zr4 Rh4\n1.0\n4.492176 0.000000 0.000000\n0.000000 5.359641 0.000000\n0.000000 0.000000 6.154265\nZr Rh\n4 4\ndirect\n0.750000 0.862076 0.825938 Zr\n0.250000 0.362076 0.674062 Zr\n0.750000 0.637924 0.325938 Zr\n0.250000 0.137924 0.174062 Zr\n0.750000 0.165681 0.450634 Rh\n0.250000 0.834319 0.549366 Rh\n0.250000 0.665681 0.049366 Rh\n0.750000 0.334319 0.950634 Rh\n","nsites":8,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":8.702258262059981,"density_atomic":0.053990994879303394,"volume":148.17285767532087,"volume_molar":11.153972571652858,"formula_full":"Zr4 Rh4","formula_reduced":"ZrRh","formula_anonymous":"AB","energy":-70.02420398,"energy_per_atom":-8.7530254975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.02420398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.48e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.087000Z","spacegroup":62},{"id":"mp-567181","created_at":"2022-09-04T14:45:24.464080Z","structure_string":"Zr4 Rh4\n1.0\n1.693132 -9.899945 0.000000\n1.693132 9.899945 0.000000\n0.000000 0.000000 4.409856\nZr Rh\n4 4\ndirect\n0.438469 0.561531 0.750000 Zr\n0.304921 0.695079 0.250000 Zr\n0.695079 0.304921 0.750000 Zr\n0.561531 0.438469 0.250000 Zr\n0.056838 0.943162 0.750000 Rh\n0.943162 0.056838 0.250000 Rh\n0.168535 0.831465 0.250000 Rh\n0.831465 0.168535 0.750000 Rh\n","nsites":8,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":8.722131321147062,"density_atomic":0.05411429232682741,"volume":147.83525120652763,"volume_molar":11.128558650695865,"formula_full":"Zr4 Rh4","formula_reduced":"ZrRh","formula_anonymous":"AB","energy":-70.01368932,"energy_per_atom":-8.751711165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.01368932,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.4e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:59.825000Z","spacegroup":63},{"id":"mp-1017545","created_at":"2022-09-04T14:46:16.349694Z","structure_string":"Zr2 Rh2\n1.0\n3.161393 0.000000 0.000000\n0.000000 4.770603 0.000000\n0.000000 0.000000 4.781562\nZr Rh\n2 2\ndirect\n0.500000 0.750000 0.245889 Zr\n0.500000 0.250000 0.754111 Zr\n0.000000 0.250000 0.260468 Rh\n0.000000 0.750000 0.739532 Rh\n","nsites":4,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":8.940237855997198,"density_atomic":0.055467480022666805,"volume":72.11432714025224,"volume_molar":10.857065721282181,"formula_full":"Zr2 Rh2","formula_reduced":"ZrRh","formula_anonymous":"AB","energy":-34.80858181,"energy_per_atom":-8.7021454525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.80858181,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.36e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.122000Z","spacegroup":51},{"id":"mp-2808","created_at":"2022-09-04T14:42:05.126075Z","structure_string":"Zr1 Rh1\n1.0\n3.307679 0.000000 0.000000\n0.000000 3.307679 0.000000\n0.000000 0.000000 3.307679\nZr Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Rh\n","nsites":2,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":8.907802212604166,"density_atomic":0.055266241148388025,"volume":36.1884571565138,"volume_molar":10.896599144187773,"formula_full":"Zr1 Rh1","formula_reduced":"ZrRh","formula_anonymous":"AB","energy":-17.41397952,"energy_per_atom":-8.70698976,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.41397952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003124,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.712000Z","spacegroup":221},{"id":"mp-1215257","created_at":"2022-09-04T14:40:00.744917Z","structure_string":"Zr1 Rh1\n1.0\n3.384336 0.000000 0.000000\n0.000000 3.384336 0.000000\n0.000000 0.000000 3.145621\nZr Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Rh\n","nsites":2,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":8.947202991947536,"density_atomic":0.05551069347463569,"volume":36.02909412244783,"volume_molar":10.848613813033475,"formula_full":"Zr1 Rh1","formula_reduced":"ZrRh","formula_anonymous":"AB","energy":-17.40272455,"energy_per_atom":-8.701362275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.40272455,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022004,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.994000Z","spacegroup":123},{"id":"mp-1196218","created_at":"2022-09-04T14:47:00.335861Z","structure_string":"Zr12 Re12 Si24\n1.0\n0.000000 0.000000 -8.098535\n0.000000 -9.334211 0.000000\n-10.100669 0.000000 0.000000\nZr Re Si\n12 12 24\ndirect\n0.748560 0.826774 0.046334 Zr\n0.748560 0.173226 0.953666 Zr\n0.251440 0.673226 0.546334 Zr\n0.251440 0.326774 0.453666 Zr\n0.251440 0.173226 0.953666 Zr\n0.251440 0.826774 0.046334 Zr\n0.748560 0.326774 0.453666 Zr\n0.748560 0.673226 0.546334 Zr\n0.500000 0.831433 0.319576 Zr\n0.500000 0.168567 0.680424 Zr\n0.500000 0.668567 0.819576 Zr\n0.500000 0.331433 0.180424 Zr\n0.750027 0.585514 0.257802 Re\n0.750027 0.414486 0.742198 Re\n0.249973 0.914486 0.757802 Re\n0.249973 0.085514 0.242198 Re\n0.249973 0.414486 0.742198 Re\n0.249973 0.585514 0.257802 Re\n0.750027 0.085514 0.242198 Re\n0.750027 0.914486 0.757802 Re\n0.744118 0.000000 0.500000 Re\n0.255882 0.500000 0.000000 Re\n0.255882 0.000000 0.500000 Re\n0.744118 0.500000 0.000000 Re\n0.854337 0.832985 0.318669 Si\n0.854337 0.167015 0.681331 Si\n0.145663 0.667015 0.818669 Si\n0.145663 0.332985 0.181331 Si\n0.145663 0.167015 0.681331 Si\n0.145663 0.832985 0.318669 Si\n0.854337 0.332985 0.181331 Si\n0.854337 0.667015 0.818669 Si\n0.500000 0.534235 0.383409 Si\n0.500000 0.465765 0.616591 Si\n0.500000 0.965765 0.883409 Si\n0.500000 0.034235 0.116591 Si\n0.000000 0.527642 0.380986 Si\n0.000000 0.472358 0.619014 Si\n0.000000 0.972358 0.880986 Si\n0.000000 0.027642 0.119014 Si\n0.500000 0.631926 0.100158 Si\n0.500000 0.368074 0.899842 Si\n0.500000 0.868074 0.600158 Si\n0.500000 0.131926 0.399842 Si\n0.000000 0.625195 0.091530 Si\n0.000000 0.374805 0.908470 Si\n0.000000 0.874805 0.591530 Si\n0.000000 0.125195 0.408470 Si\n","nsites":48,"nelements":3,"elements":["Zr","Re","Si"],"chemical_system":"Re-Si-Zr","density":8.706122474219145,"density_atomic":0.0628647250695927,"volume":763.5442602646061,"volume_molar":9.57952294125736,"formula_full":"Zr12 Re12 Si24","formula_reduced":"ZrReSi2","formula_anonymous":"ABC2","energy":-411.53789105,"energy_per_atom":-8.573706063541666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-413.24189105,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0354483,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.050000Z","spacegroup":55},{"id":"mp-1079238","created_at":"2022-09-04T14:41:30.816198Z","structure_string":"Zr3 Re3 Si3\n1.0\n3.506672 -6.073735 0.000000\n3.506672 6.073735 0.000000\n0.000000 0.000000 3.444198\nZr Re Si\n3 3 3\ndirect\n0.404982 0.000000 0.500000 Zr\n0.000000 0.404982 0.500000 Zr\n0.595018 0.595018 0.500000 Zr\n0.746034 0.000000 0.000000 Re\n0.000000 0.746034 0.000000 Re\n0.253966 0.253966 0.000000 Re\n0.333333 0.666667 0.000000 Si\n0.666667 0.333333 0.000000 Si\n0.000000 0.000000 0.500000 Si\n","nsites":9,"nelements":3,"elements":["Zr","Re","Si"],"chemical_system":"Re-Si-Zr","density":10.373753670987515,"density_atomic":0.06134418747057125,"volume":146.7131666601271,"volume_molar":9.816970455251383,"formula_full":"Zr3 Re3 Si3","formula_reduced":"ZrReSi","formula_anonymous":"ABC","energy":-85.96974221,"energy_per_atom":-9.55219357888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.18274221,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004302,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.989000Z","spacegroup":189}]}