{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=105","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=103","results":[{"id":"mp-1097588","created_at":"2022-09-04T14:46:06.351641Z","structure_string":"Zr2 Ir1 Au1\n1.0\n-5.148146 5.751564 8.057513\n5.148146 -5.751564 8.057513\n5.148146 5.751564 -8.057513\nZr Ir Au\n2 1 1\ndirect\n0.000000 0.226420 0.226420 Zr\n0.000000 0.773580 0.773580 Zr\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Zr","Ir","Au"],"chemical_system":"Au-Ir-Zr","density":0.9946435824047438,"density_atomic":0.004191429575396317,"volume":954.3283331014295,"volume_molar":143.6774888298244,"formula_full":"Zr2 Ir1 Au1","formula_reduced":"Zr2IrAu","formula_anonymous":"ABC2","energy":-19.12859816,"energy_per_atom":-4.78214954,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.12859816,"band_gap":0.0703,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0544639,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.179000Z","spacegroup":71},{"id":"mp-1211282","created_at":"2022-09-04T14:41:57.041947Z","structure_string":"Rb4 N2 O8\n1.0\n9.598610 0.000000 0.000000\n0.000000 18.436949 0.000000\n0.000000 0.000000 18.874186\nRb N O\n4 2 8\ndirect\n0.500000 0.887938 0.000867 Rb\n0.500000 0.887938 0.499133 Rb\n0.500000 0.112062 0.500867 Rb\n0.500000 0.112062 0.999133 Rb\n0.500000 0.500000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.500000 0.368630 0.717272 O\n0.500000 0.368630 0.782728 O\n0.500000 0.631370 0.217272 O\n0.500000 0.631370 0.282728 O\n0.500000 0.757827 0.501094 O\n0.500000 0.757827 0.998906 O\n0.500000 0.242173 0.001094 O\n0.500000 0.242173 0.498906 O\n","nsites":14,"nelements":3,"elements":["Rb","N","O"],"chemical_system":"N-O-Rb","density":0.24751867565913305,"density_atomic":0.004191431804400345,"volume":3340.147389563204,"volume_molar":143.67741242211548,"formula_full":"Rb4 N2 O8","formula_reduced":"Rb2NO4","formula_anonymous":"AB2C4","energy":-47.19011773,"energy_per_atom":-3.370722695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.90211773,"band_gap":0.6092999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0601334,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.260000Z","spacegroup":51},{"id":"mp-1096446","created_at":"2022-09-04T14:42:09.378991Z","structure_string":"Y1 Ta1 Os2\n1.0\n-4.944751 5.838166 8.261838\n4.944751 -5.838166 8.261838\n4.944751 5.838166 -8.261838\nY Ta Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Ta\n0.000000 0.268858 0.268858 Os\n0.000000 0.731142 0.731142 Os\n","nsites":4,"nelements":3,"elements":["Y","Ta","Os"],"chemical_system":"Os-Ta-Y","density":1.1319167539418187,"density_atomic":0.004192783703456839,"volume":954.020117160374,"volume_molar":143.63108583528657,"formula_full":"Y1 Ta1 Os2","formula_reduced":"YTaOs2","formula_anonymous":"ABC2","energy":-25.39137836,"energy_per_atom":-6.34784459,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.39137836,"band_gap":0.1253999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9998109,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.351000Z","spacegroup":71},{"id":"mp-1093778","created_at":"2022-09-04T14:41:06.706516Z","structure_string":"Y1 Al1 Pd2\n1.0\n-4.827142 5.911042 8.357205\n4.827142 -5.911042 8.357205\n4.827142 5.911042 -8.357205\nY Al Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.247719 0.247719 Pd\n0.000000 0.752281 0.752281 Pd\n","nsites":4,"nelements":3,"elements":["Y","Al","Pd"],"chemical_system":"Al-Pd-Y","density":0.5722816499800416,"density_atomic":0.004193578960868915,"volume":953.8391997205163,"volume_molar":143.60384807806753,"formula_full":"Y1 Al1 Pd2","formula_reduced":"YAlPd2","formula_anonymous":"ABC2","energy":-15.15306718,"energy_per_atom":-3.788266795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.15306718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1083678,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.060000Z","spacegroup":71},{"id":"mp-1096249","created_at":"2022-09-04T14:39:19.814714Z","structure_string":"In1 Ga2 Sn1\n1.0\n-5.306433 5.676599 7.904280\n5.306433 -5.676599 7.904280\n5.306433 5.676599 -7.904280\nIn Ga Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.261863 0.261863 Ga\n0.000000 0.738137 0.738137 Ga\n0.000000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["In","Ga","Sn"],"chemical_system":"Ga-In-Sn","density":0.6503010371293553,"density_atomic":0.00419997574449728,"volume":952.386452526712,"volume_molar":143.38513187582294,"formula_full":"In1 Ga2 Sn1","formula_reduced":"InGa2Sn","formula_anonymous":"ABC2","energy":-8.01972193,"energy_per_atom":-2.0049304825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.01972193,"band_gap":0.0430999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0252249,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.343000Z","spacegroup":71},{"id":"mp-1096570","created_at":"2022-09-04T14:43:20.141101Z","structure_string":"Sc1 Al2 Tc1\n1.0\n-5.286707 5.670686 7.941357\n5.286707 -5.670686 7.941357\n5.286707 5.670686 -7.941357\nSc Al Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.268480 0.268480 Al\n0.000000 0.731520 0.731520 Al\n0.000000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Sc","Al","Tc"],"chemical_system":"Al-Sc-Tc","density":0.34336904645939764,"density_atomic":0.004200339925612549,"volume":952.3038779811773,"volume_molar":143.37269998741286,"formula_full":"Sc1 Al2 Tc1","formula_reduced":"ScAl2Tc","formula_anonymous":"ABC2","energy":-13.43975967,"energy_per_atom":-3.3599399175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.43975967,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.470752,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.999000Z","spacegroup":71},{"id":"mp-1096281","created_at":"2022-09-04T14:48:04.301733Z","structure_string":"Li1 Al1 Hg2\n1.0\n-5.474413 5.542937 7.827661\n5.474413 -5.542937 7.827661\n5.474413 5.542937 -7.827661\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.245915 0.245915 Hg\n0.000000 0.754085 0.754085 Hg\n","nsites":4,"nelements":3,"elements":["Li","Al","Hg"],"chemical_system":"Al-Hg-Li","density":0.7604509618157509,"density_atomic":0.004210081374794746,"volume":950.1004004215981,"volume_molar":143.0409586867807,"formula_full":"Li1 Al1 Hg2","formula_reduced":"LiAlHg2","formula_anonymous":"ABC2","energy":-2.89897413,"energy_per_atom":-0.7247435325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.89897413,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1163651,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.691000Z","spacegroup":71},{"id":"mp-1097526","created_at":"2022-09-04T14:40:11.721314Z","structure_string":"Li1 Hg2 Au1\n1.0\n-5.401849 5.578494 7.871062\n5.401849 -5.578494 7.871062\n5.401849 5.578494 -7.871062\nLi Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.244469 0.244469 Hg\n0.000000 0.755531 0.755531 Hg\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Li","Hg","Au"],"chemical_system":"Au-Hg-Li","density":1.059045436867533,"density_atomic":0.004216064596928437,"volume":948.7520667767169,"volume_molar":142.8379623117577,"formula_full":"Li1 Hg2 Au1","formula_reduced":"LiHg2Au","formula_anonymous":"ABC2","energy":-4.46277878,"energy_per_atom":-1.115694695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.46277878,"band_gap":1.7888000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.251000Z","spacegroup":71},{"id":"mp-1093729","created_at":"2022-09-04T14:47:14.458799Z","structure_string":"Hf1 Pt1 Au2\n1.0\n-5.007726 5.784019 8.174336\n5.007726 -5.784019 8.174336\n5.007726 5.784019 -8.174336\nHf Pt Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Pt\n0.000000 0.248734 0.248734 Au\n0.000000 0.751266 0.751266 Au\n","nsites":4,"nelements":3,"elements":["Hf","Pt","Au"],"chemical_system":"Au-Hf-Pt","density":1.3457016196418186,"density_atomic":0.004223546167068264,"volume":947.0714517550932,"volume_molar":142.58493980616802,"formula_full":"Hf1 Pt1 Au2","formula_reduced":"HfPtAu2","formula_anonymous":"ABC2","energy":-14.12715685,"energy_per_atom":-3.5317892125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.12715685,"band_gap":0.4097999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.09e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.272000Z","spacegroup":71},{"id":"mp-1096655","created_at":"2022-09-04T14:39:32.484703Z","structure_string":"Zr1 Zn2 Au1\n1.0\n-5.347699 5.589780 7.917960\n5.347699 -5.589780 7.917960\n5.347699 5.589780 -7.917960\nZr Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.264185 0.264185 Zn\n0.000000 0.735815 0.735815 Zn\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Zr","Zn","Au"],"chemical_system":"Au-Zn-Zr","density":0.7349148741288638,"density_atomic":0.00422498358991904,"volume":946.7492393447733,"volume_molar":142.53642959392886,"formula_full":"Zr1 Zn2 Au1","formula_reduced":"ZrZn2Au","formula_anonymous":"ABC2","energy":-6.86272655,"energy_per_atom":-1.7156816375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.86272655,"band_gap":0.2501000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0001065,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.598000Z","spacegroup":71},{"id":"mp-1096020","created_at":"2022-09-04T14:39:57.916123Z","structure_string":"Li2 In1 Ge1\n1.0\n-5.476497 5.534021 7.808676\n5.476497 -5.534021 7.808676\n5.476497 5.534021 -7.808676\nLi In Ge\n2 1 1\ndirect\n0.000000 0.234239 0.234239 Li\n0.000000 0.765761 0.765761 Li\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":3,"elements":["Li","In","Ge"],"chemical_system":"Ge-In-Li","density":0.3531816329127661,"density_atomic":0.00422550811161685,"volume":946.6317172609661,"volume_molar":142.51873623065148,"formula_full":"Li2 In1 Ge1","formula_reduced":"Li2InGe","formula_anonymous":"ABC2","energy":-6.44891731,"energy_per_atom":-1.6122293275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.44891731,"band_gap":0.1798999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9979904,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.204000Z","spacegroup":71},{"id":"mp-1213671","created_at":"2022-09-04T14:42:06.977542Z","structure_string":"Cu1 Sn3 F6\n1.0\n-11.035860 0.000000 0.000000\n5.361303 10.189257 0.000000\n-0.410449 -3.116185 -21.044162\nCu Sn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.398648 0.005321 0.082311 F\n0.601352 0.994679 0.917689 F\n0.922024 0.926812 0.407227 F\n0.077976 0.073188 0.592773 F\n0.708716 0.618645 0.995571 F\n0.291284 0.381355 0.004429 F\n","nsites":10,"nelements":3,"elements":["Cu","Sn","F"],"chemical_system":"Cu-F-Sn","density":0.374488631379788,"density_atomic":0.004225904368029971,"volume":2366.357382730313,"volume_molar":142.50537247267138,"formula_full":"Cu1 Sn3 F6","formula_reduced":"CuSn3F6","formula_anonymous":"AB3C6","energy":-39.45231492,"energy_per_atom":-3.945231492,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.68031492,"band_gap":0.2326999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.9929017,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.898000Z","spacegroup":2}]}