{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=49","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=47","results":[{"id":"mp-1014","created_at":"2022-09-04T14:40:51.875841Z","structure_string":"Zr4 Mn8\n1.0\n2.465959 -4.271167 0.000000\n2.465959 4.271167 0.000000\n0.000000 0.000000 8.251413\nZr Mn\n4 8\ndirect\n0.333333 0.666667 0.064159 Zr\n0.666667 0.333333 0.564159 Zr\n0.666667 0.333333 0.935841 Zr\n0.333333 0.666667 0.435841 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169522 0.339043 0.750000 Mn\n0.830478 0.169522 0.250000 Mn\n0.830478 0.660957 0.250000 Mn\n0.169522 0.830478 0.750000 Mn\n0.660957 0.830478 0.750000 Mn\n0.339043 0.169522 0.250000 Mn\n","nsites":12,"nelements":2,"elements":["Zr","Mn"],"chemical_system":"Mn-Zr","density":7.684765669087496,"density_atomic":0.06903836877873115,"volume":173.81638952768643,"volume_molar":8.722889701089315,"formula_full":"Zr4 Mn8","formula_reduced":"ZrMn2","formula_anonymous":"AB2","energy":-109.70767433,"energy_per_atom":-9.142306194166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.70767433,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.2514615,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.021000Z","spacegroup":194},{"id":"mp-1015","created_at":"2022-09-04T14:45:03.370129Z","structure_string":"Zr8 Mn16\n1.0\n2.472598 -4.282665 0.000000\n2.472598 4.282665 0.000000\n0.000000 0.000000 16.415286\nZr Mn\n8 16\ndirect\n0.000000 0.000000 0.093023 Zr\n0.000000 0.000000 0.593023 Zr\n0.000000 0.000000 0.906977 Zr\n0.000000 0.000000 0.406977 Zr\n0.333333 0.666667 0.843349 Zr\n0.666667 0.333333 0.343349 Zr\n0.666667 0.333333 0.156651 Zr\n0.333333 0.666667 0.656651 Zr\n0.333333 0.666667 0.125057 Mn\n0.666667 0.333333 0.625057 Mn\n0.666667 0.333333 0.874943 Mn\n0.333333 0.666667 0.374943 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.163941 0.327883 0.250000 Mn\n0.836059 0.163941 0.750000 Mn\n0.327883 0.163941 0.750000 Mn\n0.672117 0.836059 0.250000 Mn\n0.163941 0.836059 0.250000 Mn\n0.836059 0.672117 0.750000 Mn\n","nsites":24,"nelements":2,"elements":["Zr","Mn"],"chemical_system":"Mn-Zr","density":7.68431717219241,"density_atomic":0.06903433957401986,"volume":347.65306872048467,"volume_molar":8.723398814502966,"formula_full":"Zr8 Mn16","formula_reduced":"ZrMn2","formula_anonymous":"AB2","energy":-219.38642814,"energy_per_atom":-9.141101172499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.38642814,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.2940073,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.948000Z","spacegroup":194},{"id":"mp-1438","created_at":"2022-09-04T14:47:32.384073Z","structure_string":"Zr1 Ir3\n1.0\n3.987559 0.000000 0.000000\n0.000000 3.987559 0.000000\n0.000000 0.000000 3.987559\nZr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":2,"elements":["Zr","Ir"],"chemical_system":"Ir-Zr","density":17.491333437637753,"density_atomic":0.06308681838844145,"volume":63.404687416172926,"volume_molar":9.545798811599854,"formula_full":"Zr1 Ir3","formula_reduced":"ZrIr3","formula_anonymous":"AB3","energy":-37.96603433,"energy_per_atom":-9.4915085825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.96603433,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042318,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.614000Z","spacegroup":221},{"id":"mp-715","created_at":"2022-09-04T14:44:53.039166Z","structure_string":"Zr2 Ir4\n1.0\n0.000000 3.718669 3.718669\n3.718669 0.000000 3.718669\n3.718669 3.718669 0.000000\nZr Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n","nsites":6,"nelements":2,"elements":["Zr","Ir"],"chemical_system":"Ir-Zr","density":15.359650468177957,"density_atomic":0.058338960246058856,"volume":102.8472220741256,"volume_molar":10.322674135089391,"formula_full":"Zr2 Ir4","formula_reduced":"ZrIr2","formula_anonymous":"AB2","energy":-56.60807919,"energy_per_atom":-9.434679865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.60807919,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.18e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:43.883000Z","spacegroup":227},{"id":"mp-11484","created_at":"2022-09-04T14:40:31.311680Z","structure_string":"Zr1 Ir1\n1.0\n3.317330 0.000000 0.000000\n0.000000 3.317330 0.000000\n0.000000 0.000000 3.317330\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n","nsites":2,"nelements":2,"elements":["Zr","Ir"],"chemical_system":"Ir-Zr","density":12.892755309407919,"density_atomic":0.05478529026098782,"volume":36.50614956080984,"volume_molar":10.992258563040453,"formula_full":"Zr1 Ir1","formula_reduced":"ZrIr","formula_anonymous":"AB","energy":-18.94884495,"energy_per_atom":-9.474422475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.94884495,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020351,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.543000Z","spacegroup":221},{"id":"mp-1017541","created_at":"2022-09-04T14:46:59.109232Z","structure_string":"Zr1 Ir1\n1.0\n3.136106 0.000000 0.000000\n0.000000 3.136106 0.000000\n0.000000 0.000000 3.663068\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n","nsites":2,"nelements":2,"elements":["Zr","Ir"],"chemical_system":"Ir-Zr","density":13.064275235468594,"density_atomic":0.05551413128133359,"volume":36.026862959710805,"volume_molar":10.847941994230434,"formula_full":"Zr1 Ir1","formula_reduced":"ZrIr","formula_anonymous":"AB","energy":-18.96595299,"energy_per_atom":-9.482976495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.96595299,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024856,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.082000Z","spacegroup":123},{"id":"mp-568992","created_at":"2022-09-04T14:42:51.243046Z","structure_string":"Zr4 Ir4\n1.0\n1.720109 -9.917572 0.000000\n1.720109 9.917572 0.000000\n0.000000 0.000000 4.380778\nZr Ir\n4 4\ndirect\n0.304835 0.695165 0.250000 Zr\n0.561073 0.438927 0.250000 Zr\n0.695165 0.304835 0.750000 Zr\n0.438927 0.561073 0.750000 Zr\n0.943195 0.056805 0.250000 Ir\n0.167970 0.832030 0.250000 Ir\n0.056805 0.943195 0.750000 Ir\n0.832030 0.167970 0.750000 Ir\n","nsites":8,"nelements":2,"elements":["Zr","Ir"],"chemical_system":"Ir-Zr","density":12.595899561828572,"density_atomic":0.053523858712301746,"volume":149.4660548112034,"volume_molar":11.251320261436778,"formula_full":"Zr4 Ir4","formula_reduced":"ZrIr","formula_anonymous":"AB","energy":-76.43930323,"energy_per_atom":-9.55491290375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.43930323,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.85e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.616000Z","spacegroup":63},{"id":"mp-27437","created_at":"2022-09-04T14:44:22.799973Z","structure_string":"Zr2 I8 O24\n1.0\n8.529438 0.000000 0.000000\n0.000000 8.529438 0.000000\n0.000000 0.000000 7.542990\nZr I O\n2 8 24\ndirect\n0.000000 0.500000 0.054523 Zr\n0.500000 0.000000 0.945477 Zr\n0.754372 0.721703 0.727685 I\n0.778297 0.254372 0.727685 I\n0.278297 0.754372 0.272315 I\n0.254372 0.221703 0.272315 I\n0.745628 0.778297 0.272315 I\n0.721703 0.245628 0.272315 I\n0.245628 0.278297 0.727685 I\n0.221703 0.745628 0.727685 I\n0.204379 0.589047 0.901328 O\n0.089047 0.295621 0.901328 O\n0.910953 0.704379 0.901328 O\n0.795621 0.410953 0.901328 O\n0.295621 0.910953 0.098672 O\n0.410953 0.204379 0.098672 O\n0.589047 0.795621 0.098672 O\n0.704379 0.089047 0.098672 O\n0.427622 0.793198 0.782744 O\n0.293198 0.072378 0.782744 O\n0.744168 0.400646 0.554531 O\n0.900646 0.755832 0.554531 O\n0.099354 0.244168 0.554531 O\n0.255832 0.599354 0.554531 O\n0.755832 0.099354 0.445469 O\n0.599354 0.744168 0.445469 O\n0.400646 0.255832 0.445469 O\n0.244168 0.900646 0.445469 O\n0.927622 0.293198 0.217256 O\n0.793198 0.572378 0.217256 O\n0.206802 0.427622 0.217256 O\n0.072378 0.706802 0.217256 O\n0.572378 0.206802 0.782744 O\n0.706802 0.927622 0.782744 O\n","nsites":34,"nelements":3,"elements":["Zr","I","O"],"chemical_system":"I-O-Zr","density":4.786085290724409,"density_atomic":0.061957595036318064,"volume":548.7624233973254,"volume_molar":9.719778110286502,"formula_full":"Zr2 I8 O24","formula_reduced":"Zr(IO3)4","formula_anonymous":"AB4C12","energy":-193.25759749,"energy_per_atom":-5.684046985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.76959749,"band_gap":2.9348000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012906,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.179000Z","spacegroup":85},{"id":"mp-1096750","created_at":"2022-09-04T14:39:06.303671Z","structure_string":"Zr1 In1 Ru2\n1.0\n-4.939129 5.579915 7.581532\n4.939129 -5.579915 7.581532\n4.939129 5.579915 -7.581532\nZr In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.227659 0.227659 Ru\n0.000000 0.772341 0.772341 Ru\n","nsites":4,"nelements":3,"elements":["Zr","In","Ru"],"chemical_system":"In-Ru-Zr","density":0.8109760535259312,"density_atomic":0.004785916036483913,"volume":835.7856614088647,"volume_molar":125.83047245484707,"formula_full":"Zr1 In1 Ru2","formula_reduced":"ZrInRu2","formula_anonymous":"ABC2","energy":-19.02771277,"energy_per_atom":-4.7569281925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.02771277,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5382794,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.189000Z","spacegroup":71},{"id":"mp-977543","created_at":"2022-09-04T14:46:29.831620Z","structure_string":"Zr1 In1 Rh2\n1.0\n0.000000 3.262707 3.262707\n3.262707 0.000000 3.262707\n3.262707 3.262707 0.000000\nZr In Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n","nsites":4,"nelements":3,"elements":["Zr","In","Rh"],"chemical_system":"In-Rh-Zr","density":9.845258225402658,"density_atomic":0.05758319679343048,"volume":69.4647088515994,"volume_molar":10.45815636391874,"formula_full":"Zr1 In1 Rh2","formula_reduced":"ZrInRh2","formula_anonymous":"ABC2","energy":-28.91515285,"energy_per_atom":-7.2287882125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.91515285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0660022,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.323000Z","spacegroup":225},{"id":"mp-1215299","created_at":"2022-09-04T14:41:29.266990Z","structure_string":"Zr1 In1 Pt2\n1.0\n3.400172 0.000000 0.000000\n0.000000 3.400172 0.000000\n0.000000 0.000000 6.607806\nZr In Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.271433 Pt\n0.500000 0.500000 0.728567 Pt\n","nsites":4,"nelements":3,"elements":["Zr","In","Pt"],"chemical_system":"In-Pt-Zr","density":12.959531336669237,"density_atomic":0.05236015626710285,"volume":76.39396604538294,"volume_molar":11.501380418498917,"formula_full":"Zr1 In1 Pt2","formula_reduced":"ZrInPt2","formula_anonymous":"ABC2","energy":-26.47684144,"energy_per_atom":-6.61921036,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.47684144,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003369,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.141000Z","spacegroup":123},{"id":"mp-571310","created_at":"2022-09-04T14:41:33.805991Z","structure_string":"Zr1 In1 Pt2\n1.0\n0.000000 3.333376 3.333376\n3.333376 0.000000 3.333376\n3.333376 3.333376 0.000000\nZr In Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n","nsites":4,"nelements":3,"elements":["Zr","In","Pt"],"chemical_system":"In-Pt-Zr","density":13.364891739705467,"density_atomic":0.05399792645308303,"volume":74.07691855492756,"volume_molar":11.152540765120738,"formula_full":"Zr1 In1 Pt2","formula_reduced":"ZrInPt2","formula_anonymous":"ABC2","energy":-26.63444595,"energy_per_atom":-6.6586114875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.63444595,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000232,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.040000Z","spacegroup":225}]}