{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10130","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10128","results":[{"id":"mp-1245508","created_at":"2022-09-04T14:46:41.393056Z","structure_string":"Cr2 Fe9 N8\n1.0\n7.915620 -0.241147 -0.264986\n1.045404 3.697803 0.000000\n1.478685 -0.418038 5.951822\nCr Fe N\n2 9 8\ndirect\n0.413081 0.793460 0.819441 Cr\n0.586919 0.206540 0.180559 Cr\n0.000000 0.500000 0.500000 Fe\n0.005393 0.997303 0.769396 Fe\n0.994607 0.002697 0.230604 Fe\n0.693857 0.653072 0.407236 Fe\n0.306143 0.346928 0.592764 Fe\n0.804988 0.597506 0.955158 Fe\n0.195012 0.402494 0.044842 Fe\n0.645855 0.177073 0.678676 Fe\n0.354145 0.822927 0.321324 Fe\n0.239639 0.880181 0.074621 N\n0.760361 0.119819 0.925379 N\n0.262035 0.868983 0.629977 N\n0.737965 0.131017 0.370023 N\n0.659895 0.670053 0.723826 N\n0.340105 0.329947 0.276174 N\n0.058497 0.470751 0.787913 N\n0.941503 0.529249 0.212087 N\n","nsites":19,"nelements":3,"elements":["Cr","Fe","N"],"chemical_system":"Cr-Fe-N","density":6.731528514085521,"density_atomic":0.10717667507778883,"volume":177.27737855470698,"volume_molar":5.618891195896057,"formula_full":"Cr2 Fe9 N8","formula_reduced":"Cr2Fe9N8","formula_anonymous":"A2B8C9","energy":-163.13478056,"energy_per_atom":-8.586041082105263,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.24678055999996,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.727961,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.778000Z","spacegroup":12},{"id":"mp-767776","created_at":"2022-09-04T14:46:41.188152Z","structure_string":"P8 W2 O24\n1.0\n4.194035 6.036578 0.000000\n-4.194035 6.036578 0.000000\n0.000000 5.273332 9.027388\nP W O\n8 2 24\ndirect\n0.285694 0.313154 0.695922 P\n0.252999 0.728566 0.480071 P\n0.271434 0.747001 0.019929 P\n0.313154 0.285694 0.195922 P\n0.686846 0.714306 0.804078 P\n0.728566 0.252999 0.980071 P\n0.747001 0.271434 0.519929 P\n0.714306 0.686846 0.304078 P\n0.053072 0.946928 0.750000 W\n0.946928 0.053072 0.250000 W\n0.807895 0.643391 0.163137 O\n0.803193 0.256293 0.093707 O\n0.467741 0.714829 0.355045 O\n0.256293 0.803193 0.593707 O\n0.224305 0.497419 0.555376 O\n0.249989 0.127538 0.686045 O\n0.497419 0.224305 0.055376 O\n0.356609 0.192105 0.336863 O\n0.090825 0.844124 0.405566 O\n0.872462 0.750011 0.813955 O\n0.285171 0.532259 0.144955 O\n0.155876 0.909175 0.094434 O\n0.844124 0.090825 0.905566 O\n0.714829 0.467741 0.855045 O\n0.127538 0.249989 0.186045 O\n0.909175 0.155876 0.594434 O\n0.643391 0.807895 0.663137 O\n0.502581 0.775695 0.944624 O\n0.750011 0.872462 0.313955 O\n0.775695 0.502581 0.444624 O\n0.743707 0.196807 0.406293 O\n0.532259 0.285171 0.644955 O\n0.196807 0.743707 0.906293 O\n0.192105 0.356609 0.836863 O\n","nsites":34,"nelements":3,"elements":["P","W","O"],"chemical_system":"O-P-W","density":3.630761095365404,"density_atomic":0.07438133098122465,"volume":457.10394734106444,"volume_molar":8.09630680246917,"formula_full":"P8 W2 O24","formula_reduced":"P4WO12","formula_anonymous":"AB4C12","energy":-272.09157443,"energy_per_atom":-8.002693365588234,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.72757443,"band_gap":2.7894999999999994,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9997413,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.469000Z","spacegroup":15},{"id":"mp-27286","created_at":"2022-09-04T14:46:41.235610Z","structure_string":"Ba4 Ag24 O16\n1.0\n6.776278 0.000000 0.000000\n0.000000 9.247565 0.000000\n0.000000 0.000000 12.985403\nBa Ag O\n4 24 16\ndirect\n0.250000 0.875944 0.500000 Ba\n0.250000 0.624056 0.000000 Ba\n0.750000 0.124056 0.500000 Ba\n0.750000 0.375944 0.000000 Ba\n0.292083 0.238454 0.373379 Ag\n0.076913 0.534120 0.262786 Ag\n0.423087 0.965880 0.762786 Ag\n0.076913 0.965880 0.237214 Ag\n0.923087 0.034120 0.762786 Ag\n0.923087 0.465880 0.737214 Ag\n0.576913 0.034120 0.237214 Ag\n0.576913 0.465880 0.262786 Ag\n0.401973 0.750000 0.250000 Ag\n0.098027 0.750000 0.750000 Ag\n0.598027 0.250000 0.750000 Ag\n0.901973 0.250000 0.250000 Ag\n0.207917 0.238454 0.626621 Ag\n0.207917 0.261546 0.873379 Ag\n0.707917 0.761546 0.626621 Ag\n0.707917 0.738454 0.873379 Ag\n0.792083 0.761546 0.373379 Ag\n0.792083 0.738454 0.126621 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.423087 0.534120 0.737214 Ag\n0.292083 0.261546 0.126621 Ag\n0.576146 0.334828 0.394545 O\n0.576146 0.165172 0.105455 O\n0.923854 0.334828 0.605455 O\n0.923854 0.165172 0.894545 O\n0.076146 0.665172 0.394545 O\n0.076146 0.834828 0.105455 O\n0.051194 0.091711 0.372064 O\n0.051194 0.408289 0.127936 O\n0.448806 0.091711 0.627936 O\n0.448806 0.408289 0.872064 O\n0.948806 0.908289 0.627936 O\n0.948806 0.591711 0.872064 O\n0.551194 0.908289 0.372064 O\n0.551194 0.591711 0.127936 O\n0.423854 0.665172 0.605455 O\n0.423854 0.834828 0.894545 O\n","nsites":44,"nelements":3,"elements":["Ba","Ag","O"],"chemical_system":"Ag-Ba-O","density":6.92634620378131,"density_atomic":0.05407277233586334,"volume":813.7182189716829,"volume_molar":11.13710375823631,"formula_full":"Ba4 Ag24 O16","formula_reduced":"Ba(Ag3O2)2","formula_anonymous":"AB4C6","energy":-191.60627817,"energy_per_atom":-4.354688140227273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.61427817,"band_gap":0.9577999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013561,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.543000Z","spacegroup":52},{"id":"mp-773515","created_at":"2022-09-04T14:46:41.238795Z","structure_string":"Te3 W1 O12\n1.0\n-5.082733 0.000000 0.000000\n-0.000828 -5.306391 0.000000\n-0.005306 -0.443400 7.335134\nTe W O\n3 1 12\ndirect\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 W\n0.684326 0.191774 0.570690 O\n0.883928 0.005093 0.254279 O\n0.690459 0.815379 0.947663 O\n0.815661 0.691736 0.570989 O\n0.193099 0.697857 0.061364 O\n0.632567 0.506868 0.253496 O\n0.367433 0.493132 0.746504 O\n0.806901 0.302143 0.938636 O\n0.184339 0.308264 0.429011 O\n0.309541 0.184621 0.052337 O\n0.116072 0.994907 0.745721 O\n0.315674 0.808226 0.429310 O\n","nsites":16,"nelements":3,"elements":["Te","W","O"],"chemical_system":"O-Te-W","density":6.367605028593699,"density_atomic":0.08087520349666262,"volume":197.83566913263164,"volume_molar":7.446214042909342,"formula_full":"Te3 W1 O12","formula_reduced":"Te3WO12","formula_anonymous":"AB3C12","energy":-106.0315421,"energy_per_atom":-6.62697138125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.3495421,"band_gap":1.5961000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007408,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.079000Z","spacegroup":2},{"id":"mp-1219873","created_at":"2022-09-04T14:46:41.243500Z","structure_string":"Pr2 Ga7 Ni1\n1.0\n4.299024 0.000000 0.000000\n0.000000 4.299024 0.000000\n0.000000 0.000000 10.426185\nPr Ga Ni\n2 7 1\ndirect\n0.000000 0.000000 0.997839 Pr\n0.500000 0.500000 0.484898 Pr\n0.000000 0.500000 0.232305 Ga\n0.500000 0.000000 0.755575 Ga\n0.500000 0.000000 0.232305 Ga\n0.000000 0.500000 0.755575 Ga\n0.000000 0.000000 0.618066 Ga\n0.000000 0.000000 0.380195 Ga\n0.500000 0.500000 0.910425 Ga\n0.500000 0.500000 0.132819 Ni\n","nsites":10,"nelements":3,"elements":["Pr","Ga","Ni"],"chemical_system":"Ga-Ni-Pr","density":7.140242784207328,"density_atomic":0.05189611341318728,"volume":192.69265735531764,"volume_molar":11.604223060121722,"formula_full":"Pr2 Ga7 Ni1","formula_reduced":"Pr2Ga7Ni","formula_anonymous":"AB2C7","energy":-42.00706103,"energy_per_atom":-4.200706103,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.00706103,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014179,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.067000Z","spacegroup":99},{"id":"mp-1096010","created_at":"2022-09-04T14:46:41.251232Z","structure_string":"Cs2 I1 Br1\n1.0\n-6.743196 6.946807 9.545157\n6.743196 -6.946807 9.545157\n6.743196 6.946807 -9.545157\nCs I Br\n2 1 1\ndirect\n0.758990 0.000000 0.758990 Cs\n0.241010 0.000000 0.241010 Cs\n0.500000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Cs","I","Br"],"chemical_system":"Br-Cs-I","density":0.4387999142202584,"density_atomic":0.002236484576226247,"volume":1788.521165099845,"volume_molar":269.2681552117616,"formula_full":"Cs2 I1 Br1","formula_reduced":"Cs2IBr","formula_anonymous":"ABC2","energy":-10.9574046,"energy_per_atom":-2.73935115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.0444046,"band_gap":3.714,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.284000Z","spacegroup":71},{"id":"mp-998555","created_at":"2022-09-04T14:46:41.270193Z","structure_string":"In2 Sn2 Br6\n1.0\n7.176225 -4.089162 0.000000\n7.176225 4.089162 0.000000\n4.846135 0.000000 6.688379\nIn Sn Br\n2 2 6\ndirect\n0.705832 0.705832 0.705832 In\n0.205832 0.205832 0.205832 In\n0.002707 0.002707 0.002707 Sn\n0.502707 0.502707 0.502707 Sn\n0.783763 0.141431 0.337769 Br\n0.141431 0.337769 0.783763 Br\n0.337769 0.783763 0.141431 Br\n0.837769 0.641431 0.283763 Br\n0.283763 0.837769 0.641431 Br\n0.641431 0.283763 0.837769 Br\n","nsites":10,"nelements":3,"elements":["In","Sn","Br"],"chemical_system":"Br-In-Sn","density":4.00386388952432,"density_atomic":0.025475268294025313,"volume":392.5375734843699,"volume_molar":23.639165211117195,"formula_full":"In2 Sn2 Br6","formula_reduced":"InSnBr3","formula_anonymous":"ABC3","energy":-33.93821434,"energy_per_atom":-3.3938214340000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.73421434,"band_gap":1.7904999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002997,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.882000Z","spacegroup":161},{"id":"mp-1225620","created_at":"2022-09-04T14:46:41.300185Z","structure_string":"Er2 Fe2 Co2\n1.0\n-2.385857 2.563827 3.647424\n2.385857 -2.563827 3.647424\n2.385857 2.563827 -3.647424\nEr Fe Co\n2 2 2\ndirect\n0.128124 0.878124 0.250000 Er\n0.871876 0.121876 0.750000 Er\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n","nsites":6,"nelements":3,"elements":["Er","Fe","Co"],"chemical_system":"Co-Er-Fe","density":10.495571952255464,"density_atomic":0.06723135756087027,"volume":89.24407029216522,"volume_molar":8.957339221579222,"formula_full":"Er2 Fe2 Co2","formula_reduced":"ErFeCo","formula_anonymous":"ABC","energy":-41.37589322,"energy_per_atom":-6.895982203333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.37589322,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.5309889,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.063000Z","spacegroup":74},{"id":"mp-28473","created_at":"2022-09-04T14:46:41.813761Z","structure_string":"C2 Cl2 F6\n1.0\n3.746754 -4.931268 0.000000\n3.746754 4.931268 0.000000\n0.000000 0.000000 4.894075\nC Cl F\n2 2 6\ndirect\n0.689637 0.310363 0.001557 C\n0.310363 0.689637 0.501557 C\n0.861670 0.138330 0.092727 Cl\n0.138330 0.861670 0.592727 Cl\n0.675432 0.324568 0.727022 F\n0.324568 0.675432 0.227022 F\n0.772809 0.519515 0.102097 F\n0.227191 0.480485 0.602097 F\n0.480485 0.227191 0.102097 F\n0.519515 0.772809 0.602097 F\n","nsites":10,"nelements":3,"elements":["C","Cl","F"],"chemical_system":"C-Cl-F","density":1.918271964625471,"density_atomic":0.055294966389963576,"volume":180.84828787987237,"volume_molar":10.890938458175937,"formula_full":"C2 Cl2 F6","formula_reduced":"CClF3","formula_anonymous":"ABC3","energy":-51.48228850000001,"energy_per_atom":-5.148228850000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.4822885,"band_gap":6.616,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.700000Z","spacegroup":36},{"id":"mp-1178568","created_at":"2022-09-04T14:46:41.243768Z","structure_string":"Ba3 Ce2 O6\n1.0\n-2.263844 2.263844 10.999186\n2.263844 -2.263844 10.999186\n2.263844 2.263844 -10.999186\nBa Ce O\n3 2 6\ndirect\n0.684224 0.684224 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.315776 0.315776 0.000000 Ba\n0.900473 0.900473 0.000000 Ce\n0.099527 0.099527 0.000000 Ce\n0.086832 0.586832 0.500000 O\n0.413168 0.913168 0.500000 O\n0.799462 0.799462 0.000000 O\n0.200538 0.200538 0.000000 O\n0.586832 0.086832 0.500000 O\n0.913168 0.413168 0.500000 O\n","nsites":11,"nelements":3,"elements":["Ba","Ce","O"],"chemical_system":"Ba-Ce-O","density":5.804665212596643,"density_atomic":0.04878419628808511,"volume":225.482857912463,"volume_molar":12.34445008469029,"formula_full":"Ba3 Ce2 O6","formula_reduced":"Ba3Ce2O6","formula_anonymous":"A2B3C6","energy":-82.89216548,"energy_per_atom":-7.535651407272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.77016548,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8970473,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.007000Z","spacegroup":139},{"id":"mp-1193558","created_at":"2022-09-04T14:46:41.249978Z","structure_string":"Hf18 Fe2 Mo8\n1.0\n0.000000 0.000000 -8.426651\n-4.331846 -7.509124 0.000000\n-4.331846 7.509124 0.000000\nHf Fe Mo\n18 2 8\ndirect\n0.557200 0.797966 0.596079 Hf\n0.557273 0.798023 0.201977 Hf\n0.557200 0.403921 0.202034 Hf\n0.442800 0.202034 0.403921 Hf\n0.442727 0.201977 0.798023 Hf\n0.442800 0.596079 0.797966 Hf\n0.057200 0.202034 0.403921 Hf\n0.057273 0.201977 0.798023 Hf\n0.057200 0.596079 0.797966 Hf\n0.942800 0.797966 0.596079 Hf\n0.942727 0.798023 0.201977 Hf\n0.942800 0.403921 0.202034 Hf\n0.750000 0.459697 0.919395 Hf\n0.750000 0.459721 0.540279 Hf\n0.750000 0.080605 0.540303 Hf\n0.250000 0.540303 0.080605 Hf\n0.250000 0.540279 0.459721 Hf\n0.250000 0.919395 0.459697 Hf\n0.750000 0.666584 0.333416 Fe\n0.250000 0.333416 0.666584 Fe\n0.750000 0.112773 0.225419 Mo\n0.750000 0.112646 0.887354 Mo\n0.750000 0.774581 0.887227 Mo\n0.250000 0.887227 0.774581 Mo\n0.250000 0.887354 0.112646 Mo\n0.250000 0.225419 0.112773 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n","nsites":28,"nelements":3,"elements":["Hf","Fe","Mo"],"chemical_system":"Fe-Hf-Mo","density":12.394831254460192,"density_atomic":0.0510752785054081,"volume":548.2104223285875,"volume_molar":11.790715462006434,"formula_full":"Hf18 Fe2 Mo8","formula_reduced":"Hf9FeMo4","formula_anonymous":"AB4C9","energy":-286.91775323,"energy_per_atom":-10.247062615357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.91775323,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016667,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.264000Z","spacegroup":194},{"id":"mp-752733","created_at":"2022-09-04T14:46:55.951791Z","structure_string":"Ti2 Ga4 O10\n1.0\n2.521704 5.048228 0.000000\n-2.521704 5.048228 0.000000\n0.000000 2.484914 6.611787\nTi Ga O\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.360746 0.366760 0.725715 Ga\n0.366760 0.360746 0.225715 Ga\n0.633240 0.639254 0.774285 Ga\n0.639254 0.633240 0.274285 Ga\n0.249640 0.581440 0.949043 O\n0.581440 0.249640 0.449043 O\n0.968209 0.662035 0.649853 O\n0.337965 0.031791 0.850147 O\n0.662035 0.968209 0.149853 O\n0.031791 0.337965 0.350147 O\n0.418560 0.750360 0.550957 O\n0.803525 0.196475 0.750000 O\n0.750360 0.418560 0.050957 O\n0.196475 0.803525 0.250000 O\n","nsites":16,"nelements":3,"elements":["Ti","Ga","O"],"chemical_system":"Ga-O-Ti","density":5.2736630804248215,"density_atomic":0.09504692350337396,"volume":168.33790521827922,"volume_molar":6.335966002925099,"formula_full":"Ti2 Ga4 O10","formula_reduced":"TiGa2O5","formula_anonymous":"AB2C5","energy":-119.85208719,"energy_per_atom":-7.490755449375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.98208719,"band_gap":2.0158,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019208,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.260000Z","spacegroup":15}]}