{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume_molar&page=12157","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume_molar&page=12155","results":[{"id":"mp-1095797","created_at":"2022-09-04T14:39:23.019309Z","structure_string":"Hg1 Bi1 Pb2\n1.0\n-6.362379 6.375976 9.047862\n6.362379 -6.375976 9.047862\n6.362379 6.375976 -9.047862\nHg Bi Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n0.000000 0.279543 0.279543 Pb\n0.000000 0.720457 0.720457 Pb\n","nsites":4,"nelements":3,"elements":["Hg","Bi","Pb"],"chemical_system":"Bi-Hg-Pb","density":0.9319412584421152,"density_atomic":0.0027245063367953223,"volume":1468.155880564024,"volume_molar":221.03603425945752,"formula_full":"Hg1 Bi1 Pb2","formula_reduced":"HgBiPb2","formula_anonymous":"ABC2","energy":-7.69092227,"energy_per_atom":-1.9227305675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.69092227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0002817,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.146000Z","spacegroup":71},{"id":"mp-1095833","created_at":"2022-09-04T14:39:15.586492Z","structure_string":"Tl2 Hg1 Te1\n1.0\n-6.231816 6.714612 8.778527\n6.231816 -6.714612 8.778527\n6.231816 6.714612 -8.778527\nTl Hg Te\n2 1 1\ndirect\n0.785815 0.000000 0.785815 Tl\n0.214185 0.000000 0.214185 Tl\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n","nsites":4,"nelements":3,"elements":["Tl","Hg","Te"],"chemical_system":"Hg-Te-Tl","density":0.8328634917322896,"density_atomic":0.0027223427717780048,"volume":1469.3226883356563,"volume_molar":221.21170127547333,"formula_full":"Tl2 Hg1 Te1","formula_reduced":"Tl2HgTe","formula_anonymous":"ABC2","energy":-7.642040759999999,"energy_per_atom":-1.9105101899999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.22004076,"band_gap":2.1305000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000525,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.576000Z","spacegroup":71},{"id":"mp-1096578","created_at":"2022-09-04T14:46:12.838234Z","structure_string":"Y2 Tl1 Zn1\n1.0\n-5.978523 6.647891 9.246771\n5.978523 -6.647891 9.246771\n5.978523 6.647891 -9.246771\nY Tl Zn\n2 1 1\ndirect\n0.000000 0.255420 0.255420 Y\n0.000000 0.744580 0.744580 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n","nsites":4,"nelements":3,"elements":["Y","Tl","Zn"],"chemical_system":"Tl-Y-Zn","density":0.5056094335962541,"density_atomic":0.0027210223141462104,"volume":1470.035721208373,"volume_molar":221.31905088362348,"formula_full":"Y2 Tl1 Zn1","formula_reduced":"Y2TlZn","formula_anonymous":"ABC2","energy":-8.46470775,"energy_per_atom":-2.1161769375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.46470775,"band_gap":0.1242,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.0000489,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.501000Z","spacegroup":71},{"id":"mp-1096224","created_at":"2022-09-04T14:44:19.490940Z","structure_string":"La1 Y1 Pb2\n1.0\n-5.907335 6.635110 9.376564\n5.907335 -6.635110 9.376564\n5.907335 6.635110 -9.376564\nLa Y Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.246813 0.246813 Pb\n0.000000 0.753187 0.753187 Pb\n","nsites":4,"nelements":3,"elements":["La","Y","Pb"],"chemical_system":"La-Pb-Y","density":0.7254101251253546,"density_atomic":0.002720924871734597,"volume":1470.0883664788544,"volume_molar":221.32697681435317,"formula_full":"La1 Y1 Pb2","formula_reduced":"LaYPb2","formula_anonymous":"ABC2","energy":-12.31482837,"energy_per_atom":-3.0787070925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.31482837,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0273647,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.706000Z","spacegroup":71},{"id":"mp-1097249","created_at":"2022-09-04T14:43:39.543711Z","structure_string":"Y2 Tl1 Hg1\n1.0\n-6.046257 6.452415 9.424505\n6.046257 -6.452415 9.424505\n6.046257 6.452415 -9.424505\nY Tl Hg\n2 1 1\ndirect\n0.000000 0.258836 0.258836 Y\n0.000000 0.741164 0.741164 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Y","Tl","Hg"],"chemical_system":"Hg-Tl-Y","density":0.6580062622054313,"density_atomic":0.0027197723574436316,"volume":1470.7113222371595,"volume_molar":221.4207649959473,"formula_full":"Y2 Tl1 Hg1","formula_reduced":"Y2TlHg","formula_anonymous":"ABC2","energy":-8.32529673,"energy_per_atom":-2.0813241825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.32529673,"band_gap":0.1208999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.9996708,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.182000Z","spacegroup":71},{"id":"mp-1097349","created_at":"2022-09-04T14:40:13.747385Z","structure_string":"Sr1 Hg2 Pb1\n1.0\n-6.222020 6.482761 9.125378\n6.222020 -6.482761 9.125378\n6.222020 6.482761 -9.125378\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.263185 0.263185 Hg\n0.000000 0.736815 0.736815 Hg\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Sr","Hg","Pb"],"chemical_system":"Hg-Pb-Sr","density":0.7849754400723382,"density_atomic":0.0027168003418920664,"volume":1472.320191631849,"volume_molar":221.66298594492923,"formula_full":"Sr1 Hg2 Pb1","formula_reduced":"SrHg2Pb","formula_anonymous":"ABC2","energy":-2.8125653,"energy_per_atom":-0.703141325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.8125653,"band_gap":0.3974000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.000255,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.963000Z","spacegroup":71},{"id":"mp-1097128","created_at":"2022-09-04T14:41:25.479652Z","structure_string":"Y2 Cd1 Pb1\n1.0\n-6.181629 6.478078 9.192931\n6.181629 -6.478078 9.192931\n6.181629 6.478078 -9.192931\nY Cd Pb\n2 1 1\ndirect\n0.000000 0.269902 0.269902 Y\n0.000000 0.730098 0.730098 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Y","Cd","Pb"],"chemical_system":"Cd-Pb-Y","density":0.56093378291204,"density_atomic":0.0027164198167095787,"volume":1472.526439173615,"volume_molar":221.6940372381272,"formula_full":"Y2 Cd1 Pb1","formula_reduced":"Y2CdPb","formula_anonymous":"ABC2","energy":-10.27192412,"energy_per_atom":-2.56798103,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.27192412,"band_gap":0.1512000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003766,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.834000Z","spacegroup":71},{"id":"mp-1093718","created_at":"2022-09-04T14:41:17.719580Z","structure_string":"Cs2 Au1 Cl1\n1.0\n-6.307598 6.544252 8.921047\n6.307598 -6.544252 8.921047\n6.307598 6.544252 -8.921047\nCs Au Cl\n2 1 1\ndirect\n0.240553 0.000000 0.240553 Cs\n0.759447 0.000000 0.759447 Cs\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Cl\n","nsites":4,"nelements":3,"elements":["Cs","Au","Cl"],"chemical_system":"Au-Cl-Cs","density":0.561667822068315,"density_atomic":0.0027155646799506055,"volume":1472.9901406998554,"volume_molar":221.76384913466836,"formula_full":"Cs2 Au1 Cl1","formula_reduced":"Cs2AuCl","formula_anonymous":"ABC2","energy":-10.44771888,"energy_per_atom":-2.61192972,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.83371888,"band_gap":3.119,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.69e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.060000Z","spacegroup":71},{"id":"mp-1096090","created_at":"2022-09-04T14:48:26.878226Z","structure_string":"Na1 Tl2 Hg1\n1.0\n-6.121396 6.522159 9.227826\n6.121396 -6.522159 9.227826\n6.121396 6.522159 -9.227826\nNa Tl Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.260110 0.260110 Tl\n0.000000 0.739890 0.739890 Tl\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Na","Tl","Hg"],"chemical_system":"Hg-Na-Tl","density":0.7125295517690775,"density_atomic":0.00271430561879035,"volume":1473.6734037277015,"volume_molar":221.86671678791316,"formula_full":"Na1 Tl2 Hg1","formula_reduced":"NaTl2Hg","formula_anonymous":"ABC2","energy":-3.17600187,"energy_per_atom":-0.7940004675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.17600187,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9998662,"is_theoretical":true,"updated_at":"2021-11-28T01:39:39.781000Z","spacegroup":71},{"id":"mp-1096508","created_at":"2022-09-04T14:41:56.334195Z","structure_string":"K2 Hg1 Au1\n1.0\n-6.232290 6.723906 8.798057\n6.232290 -6.723906 8.798057\n6.232290 6.723906 -8.798057\nK Hg Au\n2 1 1\ndirect\n0.228499 0.000000 0.228499 K\n0.771501 0.000000 0.771501 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["K","Hg","Au"],"chemical_system":"Au-Hg-K","density":0.5356914781144544,"density_atomic":0.0027123388315276093,"volume":1474.7420025495746,"volume_molar":222.02759810094543,"formula_full":"K2 Hg1 Au1","formula_reduced":"K2HgAu","formula_anonymous":"ABC2","energy":-4.73742917,"energy_per_atom":-1.1843572925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.73742917,"band_gap":0.1665999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9996847,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.437000Z","spacegroup":71},{"id":"mp-1097074","created_at":"2022-09-04T14:46:42.829371Z","structure_string":"Li1 Ca1 Tl2\n1.0\n-5.939552 6.510142 9.535240\n5.939552 -6.510142 9.535240\n5.939552 6.510142 -9.535240\nLi Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.228377 0.228377 Tl\n0.000000 0.771623 0.771623 Tl\n","nsites":4,"nelements":3,"elements":["Li","Ca","Tl"],"chemical_system":"Ca-Li-Tl","density":0.5131849684912838,"density_atomic":0.0027122156709107766,"volume":1474.8089699875447,"volume_molar":222.03768028439026,"formula_full":"Li1 Ca1 Tl2","formula_reduced":"LiCaTl2","formula_anonymous":"ABC2","energy":-4.19766076,"energy_per_atom":-1.04941519,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.19766076,"band_gap":0.0486999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9994833,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.233000Z","spacegroup":71},{"id":"mp-1093697","created_at":"2022-09-04T14:40:17.002776Z","structure_string":"La1 Y1 Cd2\n1.0\n-6.332418 6.427821 9.073010\n6.332418 -6.427821 9.073010\n6.332418 6.427821 -9.073010\nLa Y Cd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.249119 0.249119 Cd\n0.000000 0.750881 0.750881 Cd\n","nsites":4,"nelements":3,"elements":["La","Y","Cd"],"chemical_system":"Cd-La-Y","density":0.5088044353917441,"density_atomic":0.002707791755410577,"volume":1477.218472213528,"volume_molar":222.40043932355036,"formula_full":"La1 Y1 Cd2","formula_reduced":"LaYCd2","formula_anonymous":"ABC2","energy":-5.19930087,"energy_per_atom":-1.2998252175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.19930087,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4460921,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.241000Z","spacegroup":71}]}