{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=118","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=116","results":[{"id":"mp-1188031","created_at":"2022-09-04T14:41:06.469590Z","structure_string":"Zr1 Sc1 Co2\n1.0\n0.000000 3.171011 3.171011\n3.171011 0.000000 3.171011\n3.171011 3.171011 0.000000\nZr Sc Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n","nsites":4,"nelements":3,"elements":["Zr","Sc","Co"],"chemical_system":"Co-Sc-Zr","density":6.615135335835326,"density_atomic":0.06272443383587158,"volume":63.77100207020815,"volume_molar":9.600948771826122,"formula_full":"Zr1 Sc1 Co2","formula_reduced":"ZrScCo2","formula_anonymous":"ABC2","energy":-30.53001493,"energy_per_atom":-7.6325037325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.53001493,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.061134,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.124000Z","spacegroup":225},{"id":"mp-1097509","created_at":"2022-09-04T14:39:41.322971Z","structure_string":"Zr1 Sc1 Cd2\n1.0\n-5.984689 6.123115 9.205433\n5.984689 -6.123115 9.205433\n5.984689 6.123115 -9.205433\nZr Sc Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.251314 0.000000 0.251314 Cd\n0.748686 0.000000 0.748686 Cd\n","nsites":4,"nelements":3,"elements":["Zr","Sc","Cd"],"chemical_system":"Cd-Sc-Zr","density":0.44426324440108583,"density_atomic":0.0029644339315324044,"volume":1349.330122507497,"volume_molar":203.14639823620476,"formula_full":"Zr1 Sc1 Cd2","formula_reduced":"ZrScCd2","formula_anonymous":"ABC2","energy":-7.12596658,"energy_per_atom":-1.781491645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.12596658,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.3557411,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.720000Z","spacegroup":71},{"id":"mp-1215212","created_at":"2022-09-04T14:43:23.353317Z","structure_string":"Zr1 Sc1 B4\n1.0\n-3.162740 0.000000 -3.162740\n3.162740 -3.162740 0.000000\n-3.162740 -3.162740 0.000000\nZr Sc B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.750000 0.750000 Sc\n0.796857 0.398429 0.804714 B\n0.203143 0.398429 0.398429 B\n0.203143 0.804714 0.398429 B\n0.796857 0.398429 0.398429 B\n","nsites":6,"nelements":3,"elements":["Zr","Sc","B"],"chemical_system":"B-Sc-Zr","density":4.708785955963056,"density_atomic":0.0948267313845668,"volume":63.27329764923764,"volume_molar":6.3506784132181044,"formula_full":"Zr1 Sc1 B4","formula_reduced":"ZrScB4","formula_anonymous":"ABC4","energy":-41.27968649,"energy_per_atom":-6.879947748333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.27968649,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.22e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.169000Z","spacegroup":216},{"id":"mp-1215238","created_at":"2022-09-04T14:40:54.539813Z","structure_string":"Zr1 Sc1 B24\n1.0\n-2.620216 -4.538346 0.000000\n5.240431 0.000000 0.000000\n2.620216 1.512782 8.576114\nZr Sc B\n1 1 24\ndirect\n0.745155 0.254845 0.235466 Zr\n0.255720 0.744280 0.767160 Sc\n0.999857 0.661483 0.999760 B\n0.661386 0.000143 0.999760 B\n0.338517 0.338614 0.999760 B\n0.338517 0.000143 0.999760 B\n0.661386 0.661483 0.999760 B\n0.999857 0.338614 0.999760 B\n0.668950 0.331050 0.668405 B\n0.330505 0.331050 0.668405 B\n0.668950 0.669495 0.668405 B\n0.330704 0.669296 0.331098 B\n0.669689 0.669296 0.331098 B\n0.330704 0.330311 0.331098 B\n0.170219 0.829781 0.170660 B\n0.830221 0.829781 0.170660 B\n0.170219 0.169779 0.170660 B\n0.830112 0.169888 0.829450 B\n0.169225 0.169888 0.829450 B\n0.830112 0.830775 0.829450 B\n0.499687 0.161171 0.499996 B\n0.161480 0.500313 0.499996 B\n0.838829 0.838520 0.499996 B\n0.838829 0.500313 0.499996 B\n0.161480 0.161171 0.499996 B\n0.499687 0.838520 0.499996 B\n","nsites":26,"nelements":3,"elements":["Zr","Sc","B"],"chemical_system":"B-Sc-Zr","density":3.221057142064385,"density_atomic":0.1274729957977162,"volume":203.96476788902623,"volume_molar":4.724248239647862,"formula_full":"Zr1 Sc1 B24","formula_reduced":"ZrScB24","formula_anonymous":"ABC24","energy":-180.58537209,"energy_per_atom":-6.945591234230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.58537209,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007465,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.035000Z","spacegroup":160},{"id":"mp-1097364","created_at":"2022-09-04T14:40:37.188794Z","structure_string":"Zr1 Sc1 Au2\n1.0\n-5.330107 5.718535 8.086918\n5.330107 -5.718535 8.086918\n5.330107 5.718535 -8.086918\nZr Sc Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.245338 0.245338 Au\n0.000000 0.754662 0.754662 Au\n","nsites":4,"nelements":3,"elements":["Zr","Sc","Au"],"chemical_system":"Au-Sc-Zr","density":0.8927993209623298,"density_atomic":0.004056918186130747,"volume":985.9700926862831,"volume_molar":148.4412670826761,"formula_full":"Zr1 Sc1 Au2","formula_reduced":"ZrScAu2","formula_anonymous":"ABC2","energy":-13.57407249,"energy_per_atom":-3.3935181225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.57407249,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.4398819,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.441000Z","spacegroup":71},{"id":"mp-1215201","created_at":"2022-09-04T14:46:17.885973Z","structure_string":"Zr1 Sc1\n1.0\n1.635056 -2.832000 0.000000\n1.635056 2.832000 0.000000\n0.000000 0.000000 5.154199\nZr Sc\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.500000 Sc\n","nsites":2,"nelements":2,"elements":["Zr","Sc"],"chemical_system":"Sc-Zr","density":4.737454893620727,"density_atomic":0.04189989522594796,"volume":47.73281625681562,"volume_molar":14.372686918487998,"formula_full":"Zr1 Sc1","formula_reduced":"ZrSc","formula_anonymous":"AB","energy":-14.88408705,"energy_per_atom":-7.442043525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.88408705,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2519972,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.049000Z","spacegroup":187},{"id":"mp-1093901","created_at":"2022-09-04T14:46:10.407678Z","structure_string":"Zr1 Sb1 Ru2\n1.0\n-4.740380 5.554683 7.837048\n4.740380 -5.554683 7.837048\n4.740380 5.554683 -7.837048\nZr Sb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Sb\n0.000000 0.235771 0.235771 Ru\n0.000000 0.764229 0.764229 Ru\n","nsites":4,"nelements":3,"elements":["Zr","Sb","Ru"],"chemical_system":"Ru-Sb-Zr","density":0.8351067720041707,"density_atomic":0.004845906796404258,"volume":825.4389050503542,"volume_molar":124.2727318748377,"formula_full":"Zr1 Sb1 Ru2","formula_reduced":"ZrSbRu2","formula_anonymous":"ABC2","energy":-19.91108209,"energy_per_atom":-4.9777705225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.91108209,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9669092,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.057000Z","spacegroup":71},{"id":"mp-1188015","created_at":"2022-09-04T14:47:06.426247Z","structure_string":"Zr1 Sb1 Ru2\n1.0\n0.000000 3.256025 3.256025\n3.256025 0.000000 3.256025\n3.256025 3.256025 0.000000\nZr Sb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Zr","Sb","Ru"],"chemical_system":"Ru-Sb-Zr","density":9.984670831834645,"density_atomic":0.05793844076695527,"volume":69.03879267461005,"volume_molar":10.394033184673964,"formula_full":"Zr1 Sb1 Ru2","formula_reduced":"ZrSbRu2","formula_anonymous":"ABC2","energy":-32.8704954,"energy_per_atom":-8.21762385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.8704954,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000324,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.388000Z","spacegroup":225},{"id":"mp-31457","created_at":"2022-09-04T14:39:30.725543Z","structure_string":"Zr1 Sb1 Ru1\n1.0\n0.000000 3.177201 3.177201\n3.177201 0.000000 3.177201\n3.177201 3.177201 0.000000\nZr Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n","nsites":3,"nelements":3,"elements":["Zr","Sb","Ru"],"chemical_system":"Ru-Sb-Zr","density":8.12997779321834,"density_atomic":0.0467689034338246,"volume":64.14518579091411,"volume_molar":12.87637793030789,"formula_full":"Zr1 Sb1 Ru1","formula_reduced":"ZrSbRu","formula_anonymous":"ABC","energy":-23.84365572,"energy_per_atom":-7.947885240000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.65165572,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013476,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.421000Z","spacegroup":216},{"id":"mp-1206984","created_at":"2022-09-04T14:40:24.713387Z","structure_string":"Zr1 Sb1 Rh1\n1.0\n-3.261698 -3.261698 0.000000\n-3.261698 0.000000 -3.261698\n0.000000 -3.261698 -3.261698\nZr Sb Rh\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n","nsites":3,"nelements":3,"elements":["Zr","Sb","Rh"],"chemical_system":"Rh-Sb-Zr","density":7.558281283357208,"density_atomic":0.04322748980999394,"volume":69.4002823940616,"volume_molar":13.931275645359625,"formula_full":"Zr1 Sb1 Rh1","formula_reduced":"ZrSbRh","formula_anonymous":"ABC","energy":-20.67205659,"energy_per_atom":-6.89068553,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.67205659,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000357,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.514000Z","spacegroup":216},{"id":"mp-1100415","created_at":"2022-09-04T14:44:24.847286Z","structure_string":"Zr1 Sb1 Rh1\n1.0\n0.000000 3.170138 3.170138\n3.170138 0.000000 3.170138\n3.170138 3.170138 0.000000\nZr Sb Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n","nsites":3,"nelements":3,"elements":["Zr","Sb","Rh"],"chemical_system":"Rh-Sb-Zr","density":8.232273456526958,"density_atomic":0.04708220078269407,"volume":63.71834685142215,"volume_molar":12.7906951244589,"formula_full":"Zr1 Sb1 Rh1","formula_reduced":"ZrSbRh","formula_anonymous":"ABC","energy":-23.21140789,"energy_per_atom":-7.737135963333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.01940789,"band_gap":1.1648000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000313,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.628000Z","spacegroup":216},{"id":"mp-1207105","created_at":"2022-09-04T14:39:13.622941Z","structure_string":"Zr1 S2 N1\n1.0\n8.301249 -1.850028 0.000000\n8.301249 1.850028 0.000000\n7.888949 0.000000 3.177706\nZr S N\n1 2 1\ndirect\n0.996874 0.996874 0.996874 Zr\n0.389091 0.389091 0.389091 S\n0.604500 0.604500 0.604500 S\n0.169535 0.169535 0.169535 N\n","nsites":4,"nelements":3,"elements":["Zr","S","N"],"chemical_system":"N-S-Zr","density":2.8813517903928294,"density_atomic":0.040982131195301114,"volume":97.60351361274807,"volume_molar":14.694552441163626,"formula_full":"Zr1 S2 N1","formula_reduced":"ZrS2N","formula_anonymous":"ABC2","energy":-25.85969803,"energy_per_atom":-6.4649245075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.49269803,"band_gap":0.9912,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0011585,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.538000Z","spacegroup":160}]}