{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=12138","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=12136","results":[{"id":"mp-971951","created_at":"2022-09-04T14:47:25.496078Z","structure_string":"Zr3 Pt1\n1.0\n4.351298 0.000000 0.000000\n0.000000 4.351298 0.000000\n0.000000 0.000000 4.351298\nZr Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Pt\n","nsites":4,"nelements":2,"elements":["Zr","Pt"],"chemical_system":"Pt-Zr","density":9.447990671889906,"density_atomic":0.04855159592192988,"volume":82.38658120387906,"volume_molar":12.403589718623248,"formula_full":"Zr3 Pt1","formula_reduced":"Zr3Pt","formula_anonymous":"AB3","energy":-33.38262982,"energy_per_atom":-8.345657455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.38262982,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018479,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.400000Z","spacegroup":221},{"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},{"id":"mp-1188054","created_at":"2022-09-04T14:44:25.029445Z","structure_string":"Zr3 Rh1\n1.0\n-2.012834 2.012834 5.034684\n2.012834 -2.012834 5.034684\n2.012834 2.012834 -5.034684\nZr Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 Zr\n0.250000 0.750000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":7.663997195420059,"density_atomic":0.0490243521304534,"volume":81.59210323383842,"volume_molar":12.283978264465654,"formula_full":"Zr3 Rh1","formula_reduced":"Zr3Rh","formula_anonymous":"AB3","energy":-33.95012672,"energy_per_atom":-8.48753168,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.95012672,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0139218,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.971000Z","spacegroup":139},{"id":"mp-1188005","created_at":"2022-09-04T14:44:00.106941Z","structure_string":"Zr3 S1\n1.0\n4.271621 0.000000 0.000000\n0.000000 4.271621 0.000000\n0.000000 0.000000 4.271621\nZr S\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 S\n","nsites":4,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":6.513568106794313,"density_atomic":0.05131943337249676,"volume":77.9431832570406,"volume_molar":11.734620521409346,"formula_full":"Zr3 S1","formula_reduced":"Zr3S","formula_anonymous":"AB3","energy":-31.13513476,"energy_per_atom":-7.78378369,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.63213476,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003905,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.595000Z","spacegroup":221},{"id":"mp-1215419","created_at":"2022-09-04T14:47:25.106925Z","structure_string":"Zr3 S2\n1.0\n3.869471 -2.902538 0.000000\n3.869471 2.902538 0.000000\n1.692241 0.000000 4.531429\nZr S\n3 2\ndirect\n0.161273 0.838727 0.500000 Zr\n0.500000 0.161273 0.838727 Zr\n0.838727 0.500000 0.161273 Zr\n0.334977 0.334977 0.334977 S\n0.665023 0.665023 0.665023 S\n","nsites":5,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":5.510825105564115,"density_atomic":0.04912191831445294,"volume":101.7875557707784,"volume_molar":12.259579769359556,"formula_full":"Zr3 S2","formula_reduced":"Zr3S2","formula_anonymous":"A2B3","energy":-40.21010824,"energy_per_atom":-8.042021647999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.20410824,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.85e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.405000Z","spacegroup":155},{"id":"mp-1215543","created_at":"2022-09-04T14:40:21.372194Z","structure_string":"Zr3 S4\n1.0\n3.672248 -5.116990 0.000000\n3.672248 5.116990 0.000000\n0.000000 0.000000 3.691930\nZr S\n3 4\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255612 0.255612 0.500000 S\n0.744388 0.744388 0.500000 S\n0.738791 0.261209 0.000000 S\n0.261209 0.738791 0.000000 S\n","nsites":7,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":4.810294396736151,"density_atomic":0.05045079509702299,"volume":138.7490521514706,"volume_molar":11.936661748181956,"formula_full":"Zr3 S4","formula_reduced":"Zr3S4","formula_anonymous":"A3B4","energy":-55.14976069,"energy_per_atom":-7.878537241428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.13776069,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.63e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.276000Z","spacegroup":65},{"id":"mp-1100800","created_at":"2022-09-04T14:42:17.015251Z","structure_string":"Zr3 Sc4 N8\n1.0\n2.858750 0.000000 1.650500\n0.952917 2.695255 1.650500\n0.480075 0.339464 25.576487\nZr Sc N\n3 4 8\ndirect\n0.014564 0.014564 0.369538 Zr\n0.000000 0.000000 0.500000 Zr\n0.985436 0.985436 0.630462 Zr\n0.049999 0.049999 0.106250 Sc\n0.038856 0.038856 0.235429 Sc\n0.961144 0.961144 0.764571 Sc\n0.950001 0.950001 0.893750 Sc\n0.476894 0.476894 0.071165 N\n0.496018 0.496018 0.188993 N\n0.498949 0.498949 0.312894 N\n0.508109 0.508109 0.434459 N\n0.491891 0.491891 0.565541 N\n0.501051 0.501051 0.687106 N\n0.503982 0.503982 0.811007 N\n0.523106 0.523106 0.928835 N\n","nsites":15,"nelements":3,"elements":["Zr","Sc","N"],"chemical_system":"N-Sc-Zr","density":4.8441797670510995,"density_atomic":0.07737345386941545,"volume":193.86494010356273,"volume_molar":7.783213051550825,"formula_full":"Zr3 Sc4 N8","formula_reduced":"Zr3Sc4N8","formula_anonymous":"A3B4C8","energy":-140.89967816,"energy_per_atom":-9.393311877333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.01167816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8208014,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.479000Z","spacegroup":166},{"id":"mp-1100799","created_at":"2022-09-04T14:40:36.142840Z","structure_string":"Zr3 Sc4 N8\n1.0\n17.754655 -1.765873 0.000000\n17.754655 1.765873 0.000000\n17.579022 0.000000 3.053534\nZr Sc N\n3 4 8\ndirect\n0.114878 0.114878 0.114878 Zr\n0.500000 0.500000 0.500000 Zr\n0.885122 0.885122 0.885122 Zr\n0.354607 0.354607 0.354607 Sc\n0.733229 0.733229 0.733229 Sc\n0.266771 0.266771 0.266771 Sc\n0.645393 0.645393 0.645393 Sc\n0.687165 0.687165 0.687165 N\n0.063720 0.063720 0.063720 N\n0.437182 0.437182 0.437182 N\n0.812209 0.812209 0.812209 N\n0.187791 0.187791 0.187791 N\n0.562818 0.562818 0.562818 N\n0.936280 0.936280 0.936280 N\n0.312835 0.312835 0.312835 N\n","nsites":15,"nelements":3,"elements":["Zr","Sc","N"],"chemical_system":"N-Sc-Zr","density":4.904729571160036,"density_atomic":0.07834058302240246,"volume":191.47164115067363,"volume_molar":7.687127830383767,"formula_full":"Zr3 Sc4 N8","formula_reduced":"Zr3Sc4N8","formula_anonymous":"A3B4C8","energy":-141.14342399,"energy_per_atom":-9.409561599333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.25542399,"band_gap":0.0656999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018562,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.214000Z","spacegroup":166},{"id":"mp-1215426","created_at":"2022-09-04T14:46:39.737721Z","structure_string":"Zr3 Se2\n1.0\n1.716290 -2.972701 0.000000\n1.716290 2.972701 0.000000\n0.000000 0.000000 10.677004\nZr Se\n3 2\ndirect\n0.000000 0.000000 0.353076 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.646924 Zr\n0.666667 0.333333 0.177564 Se\n0.666667 0.333333 0.822436 Se\n","nsites":5,"nelements":2,"elements":["Zr","Se"],"chemical_system":"Se-Zr","density":6.578110750359142,"density_atomic":0.04589323815921267,"volume":108.94851181897465,"volume_molar":13.12206547532778,"formula_full":"Zr3 Se2","formula_reduced":"Zr3Se2","formula_anonymous":"A2B3","energy":-37.702615730000005,"energy_per_atom":-7.540523146000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.75861573,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0113775,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.370000Z","spacegroup":187},{"id":"mp-1215400","created_at":"2022-09-04T14:43:08.447496Z","structure_string":"Zr3 Se4\n1.0\n3.943497 -5.355340 0.000000\n3.943497 5.355340 0.000000\n0.000000 0.000000 3.765060\nZr Se\n3 4\ndirect\n0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Zr\n0.735851 0.264149 0.500000 Se\n0.742479 0.742479 0.000000 Se\n0.264149 0.735851 0.500000 Se\n0.257521 0.257521 0.000000 Se\n","nsites":7,"nelements":2,"elements":["Zr","Se"],"chemical_system":"Se-Zr","density":6.155612698813158,"density_atomic":0.044017723650027214,"volume":159.02685144863625,"volume_molar":13.681172629189962,"formula_full":"Zr3 Se4","formula_reduced":"Zr3Se4","formula_anonymous":"A3B4","energy":-50.46684641,"energy_per_atom":-7.209549487142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.57884641,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023037,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.894000Z","spacegroup":65},{"id":"mp-1215399","created_at":"2022-09-04T14:39:12.604890Z","structure_string":"Zr3 Si1 Mo8\n1.0\n2.682365 -4.645992 0.000000\n2.682365 4.645992 0.000000\n0.000000 0.000000 8.596935\nZr Si Mo\n3 1 8\ndirect\n0.666667 0.333333 0.444056 Zr\n0.666667 0.333333 0.061654 Zr\n0.000000 0.000000 0.936997 Zr\n0.000000 0.000000 0.564707 Si\n0.333333 0.666667 0.497979 Mo\n0.333333 0.666667 0.996738 Mo\n0.503917 0.007834 0.745027 Mo\n0.503917 0.496083 0.745027 Mo\n0.992166 0.496083 0.745027 Mo\n0.162561 0.325122 0.254244 Mo\n0.162561 0.837439 0.254244 Mo\n0.674878 0.837439 0.254244 Mo\n","nsites":12,"nelements":3,"elements":["Zr","Si","Mo"],"chemical_system":"Mo-Si-Zr","density":8.286469872614934,"density_atomic":0.056002997904994606,"volume":214.27424332456647,"volume_molar":10.753247121191915,"formula_full":"Zr3 Si1 Mo8","formula_reduced":"Zr3SiMo8","formula_anonymous":"AB3C8","energy":-117.60427265,"energy_per_atom":-9.800356054166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.60427265,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.42e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.220000Z","spacegroup":156},{"id":"mp-7544","created_at":"2022-09-04T14:43:39.075079Z","structure_string":"Zr3 Si3 Ru3\n1.0\n3.355306 -5.811561 0.000000\n3.355306 5.811561 0.000000\n0.000000 0.000000 3.728055\nZr Si Ru\n3 3 3\ndirect\n0.414793 0.414793 0.500000 Zr\n0.585207 0.000000 0.500000 Zr\n0.000000 0.585207 0.500000 Zr\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.244258 0.000000 Ru\n0.244258 0.000000 0.000000 Ru\n0.755742 0.755742 0.000000 Ru\n","nsites":9,"nelements":3,"elements":["Zr","Si","Ru"],"chemical_system":"Ru-Si-Zr","density":7.550997125152835,"density_atomic":0.061902083789654117,"volume":145.3909052655219,"volume_molar":9.7284944081422,"formula_full":"Zr3 Si3 Ru3","formula_reduced":"ZrSiRu","formula_anonymous":"ABC","energy":-77.99339313,"energy_per_atom":-8.66593257,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.20639313,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016889,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.781000Z","spacegroup":189}]}