{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4549","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4547","results":[{"id":"jvasp-24608","created_at":"2022-09-04T14:37:04.119122Z","updated_at":"2022-09-04T14:37:04.119136Z","structure_string":"Al2 Tl4 F10\n1.0\n6.226199 0.618322 0.000000\n-0.620095 6.226022 0.000000\n0.000000 0.000000 7.541177\nAl Tl F\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.499678 0.998941 0.750000 Tl\n0.500321 0.001059 0.250000 Tl\n0.998941 0.499678 0.750000 Tl\n0.001058 0.500321 0.250000 Tl\n0.794882 0.794882 0.498844 F\n0.205083 0.794917 0.000000 F\n0.998958 0.998958 0.750000 F\n0.794917 0.205083 0.000000 F\n0.794917 0.205083 0.500000 F\n0.205083 0.794917 0.500000 F\n0.205117 0.205117 0.501157 F\n0.794882 0.794882 0.001156 F\n0.205117 0.205117 0.998844 F\n0.001041 0.001041 0.250000 F\n","nsites":16,"nelements":3,"elements":["Al","Tl","F"],"chemical_system":"Al-F-Tl","density":5.970542090127939,"density_atomic":0.05419668299984399,"volume":295.2210193388783,"volume_molar":11.111640836058795,"formula_full":"Al2 Tl4 F10","formula_reduced":"AlTl2F5","formula_anonymous":"AB2C5","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-8210","created_at":"2022-09-04T14:38:11.745973Z","updated_at":"2022-09-04T14:38:11.746009Z","structure_string":"Al2 Tl2 Se4\n1.0\n5.634493 0.000000 3.099248\n2.817246 5.751420 1.549624\n0.045338 0.000000 6.589005\nAl Tl Se\n2 2 4\ndirect\n0.250000 0.500000 0.500000 Al\n0.750000 0.500000 0.500000 Al\n0.750000 -0.000000 0.000000 Tl\n0.250000 -0.000000 0.000000 Tl\n0.840835 0.500000 0.818330 Se\n0.659165 0.181671 0.500000 Se\n0.159165 0.500000 0.181671 Se\n0.340836 0.818329 0.500000 Se\n","nsites":8,"nelements":3,"elements":["Al","Tl","Se"],"chemical_system":"Al-Se-Tl","density":6.077761573146,"density_atomic":0.03760859101883638,"volume":212.7173548190937,"volume_molar":16.01267316019308,"formula_full":"Al2 Tl2 Se4","formula_reduced":"AlTlSe2","formula_anonymous":"ABC2","energy_above_hull":0.7530255333333332,"spacegroup":140},{"id":"jvasp-7793","created_at":"2022-09-04T14:36:44.283505Z","updated_at":"2022-09-04T14:36:44.283528Z","structure_string":"Al2 Tl2 O4\n1.0\n4.881412 -0.077639 2.946556\n1.625310 4.603540 2.946556\n-0.111619 -0.077639 5.700694\nAl Tl O\n2 2 4\ndirect\n0.375000 0.375000 0.375000 Al\n0.625000 0.625000 0.625001 Al\n0.875003 0.875003 0.875005 Tl\n0.124996 0.124996 0.124997 Tl\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500001 O\n0.500000 0.500000 0.000001 O\n","nsites":8,"nelements":3,"elements":["Al","Tl","O"],"chemical_system":"Al-O-Tl","density":6.671198308213665,"density_atomic":0.06101813519494735,"volume":131.1085626337274,"volume_molar":9.869427737769783,"formula_full":"Al2 Tl2 O4","formula_reduced":"AlTlO2","formula_anonymous":"ABC2","energy_above_hull":0.8916831000000001,"spacegroup":227},{"id":"jvasp-34684","created_at":"2022-09-04T14:38:09.189313Z","updated_at":"2022-09-04T14:38:09.189344Z","structure_string":"Al2 Tl2 F8\n1.0\n4.808421 0.000000 -1.791508\n-0.667475 4.761868 -1.791508\n0.004976 0.005722 7.362027\nAl Tl F\n2 2 8\ndirect\n0.499999 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Tl\n0.639966 0.639967 0.279934 F\n0.701676 0.798323 -0.000001 F\n0.860033 0.860033 0.720065 F\n0.360033 0.360033 0.720065 F\n0.798322 0.298323 -0.000000 F\n0.298323 0.201677 -0.000000 F\n0.201676 0.701677 -0.000000 F\n0.139967 0.139967 0.279935 F\n","nsites":12,"nelements":3,"elements":["Al","Tl","F"],"chemical_system":"Al-F-Tl","density":6.051918860340844,"density_atomic":0.07114593483600458,"volume":168.66740211736175,"volume_molar":8.46449030978562,"formula_full":"Al2 Tl2 F8","formula_reduced":"AlTlF4","formula_anonymous":"ABC4","energy_above_hull":0.0003516666666665,"spacegroup":140},{"id":"jvasp-9435","created_at":"2022-09-04T14:37:19.532642Z","updated_at":"2022-09-04T14:37:19.532658Z","structure_string":"Al2 Tl2 F8\n1.0\n4.788524 -0.000000 -1.787495\n-0.657873 4.772948 -1.762377\n-0.000615 0.023644 7.306094\nAl Tl F\n2 2 8\ndirect\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.737922 0.250000 0.499999 Tl\n0.262077 0.750000 0.499999 Tl\n0.696014 0.644420 0.276593 F\n0.919420 0.855579 0.723405 F\n0.303985 0.355579 0.723405 F\n0.080578 0.144420 0.276593 F\n0.225367 0.725620 0.038556 F\n0.686811 0.774379 0.961442 F\n0.774631 0.274379 0.961442 F\n0.313188 0.225620 0.038556 F\n","nsites":12,"nelements":3,"elements":["Al","Tl","F"],"chemical_system":"Al-F-Tl","density":6.1048273268732896,"density_atomic":0.0717679230680111,"volume":167.2056189870252,"volume_molar":8.391131445023285,"formula_full":"Al2 Tl2 F8","formula_reduced":"AlTlF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":15},{"id":"jvasp-2931","created_at":"2022-09-04T14:36:40.361004Z","updated_at":"2022-09-04T14:36:40.361033Z","structure_string":"Al2 Te5\n1.0\n4.074493 0.000000 1.069536\n1.839201 6.819316 1.289237\n-0.009891 0.006121 8.333524\nAl Te\n2 5\ndirect\n0.374323 0.849305 0.402049 Al\n0.625676 0.150695 0.597952 Al\n0.591193 0.694692 0.122922 Te\n0.408807 0.305308 0.877079 Te\n0.000000 0.000000 0.000000 Te\n0.181889 0.244036 0.392185 Te\n0.818110 0.755965 0.607815 Te\n","nsites":7,"nelements":2,"elements":["Al","Te"],"chemical_system":"Al-Te","density":4.961252895337844,"density_atomic":0.03022437900737879,"volume":231.6011190268314,"volume_molar":19.924779127901328,"formula_full":"Al2 Te5","formula_reduced":"Al2Te5","formula_anonymous":"A2B5","energy_above_hull":1.2429092047619048,"spacegroup":12},{"id":"jvasp-5653","created_at":"2022-09-04T14:38:07.341064Z","updated_at":"2022-09-04T14:38:07.341083Z","structure_string":"Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n","nsites":18,"nelements":3,"elements":["Al","Te","I"],"chemical_system":"Al-I-Te","density":4.282996376835354,"density_atomic":0.022258357287127297,"volume":808.6850151520374,"volume_molar":27.055638843046125,"formula_full":"Al2 Te2 I14","formula_reduced":"AlTeI7","formula_anonymous":"ABC7","energy_above_hull":0.0072082768518518,"spacegroup":7},{"id":"jvasp-109019","created_at":"2022-09-04T14:37:47.264829Z","updated_at":"2022-09-04T14:37:47.264851Z","structure_string":"Al2 Tc6\n1.0\n5.413882 -0.000000 0.000000\n-2.706941 4.688559 0.000000\n-0.000000 -0.000000 4.536912\nAl Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666666 0.333333 0.250000 Al\n0.170774 0.341549 0.250000 Tc\n0.658451 0.829226 0.250000 Tc\n0.170774 0.829226 0.250000 Tc\n0.829226 0.658451 0.750000 Tc\n0.341549 0.170774 0.750000 Tc\n0.829226 0.170774 0.750000 Tc\n","nsites":8,"nelements":2,"elements":["Al","Tc"],"chemical_system":"Al-Tc","density":9.256581320566921,"density_atomic":0.06946746648575604,"volume":115.16182185282892,"volume_molar":8.669008767197248,"formula_full":"Al2 Tc6","formula_reduced":"AlTc3","formula_anonymous":"AB3","energy_above_hull":4.480836825,"spacegroup":194},{"id":"jvasp-101388","created_at":"2022-09-04T14:36:39.941111Z","updated_at":"2022-09-04T14:36:39.941131Z","structure_string":"Al2 Tc1 Pd1\n1.0\n3.731747 0.000000 2.154525\n1.243916 3.518324 2.154525\n0.000000 0.000000 4.309049\nAl Tc Pd\n2 1 1\ndirect\n0.750002 0.749999 0.750001 Al\n0.250001 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Tc\n0.500001 0.499999 0.500001 Pd\n","nsites":4,"nelements":3,"elements":["Al","Tc","Pd"],"chemical_system":"Al-Pd-Tc","density":7.583744757752038,"density_atomic":0.07070181055166655,"volume":56.57563743826521,"volume_molar":8.517661305998972,"formula_full":"Al2 Tc1 Pd1","formula_reduced":"Al2TcPd","formula_anonymous":"ABC2","energy_above_hull":2.4655682,"spacegroup":225},{"id":"jvasp-77305","created_at":"2022-09-04T14:37:51.814873Z","updated_at":"2022-09-04T14:37:51.814882Z","structure_string":"Al2 Tc1 Pd1\n1.0\n-8.657696 -0.000000 -4.998523\n-5.586817 -1.235467 -0.320395\n-4.165767 2.783872 -2.781727\nAl Tc Pd\n2 1 1\ndirect\n0.743702 0.000001 0.000001 Al\n0.256297 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Tc\n0.499999 0.000001 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Al","Tc","Pd"],"chemical_system":"Al-Pd-Tc","density":6.5016866111582425,"density_atomic":0.0606139881723386,"volume":65.99136800942944,"volume_molar":9.935232677443626,"formula_full":"Al2 Tc1 Pd1","formula_reduced":"Al2TcPd","formula_anonymous":"ABC2","energy_above_hull":2.6889407,"spacegroup":71},{"id":"jvasp-80616","created_at":"2022-09-04T14:37:14.797417Z","updated_at":"2022-09-04T14:37:14.797445Z","structure_string":"Al2 Tc1 Ir1\n1.0\n-7.886525 -3.675496 -6.014766\n-5.280406 -3.045001 -0.740604\n-3.080503 0.926156 -2.993638\nAl Tc Ir\n2 1 1\ndirect\n0.753401 0.990206 0.996190 Al\n0.246598 0.009795 0.003812 Al\n0.000000 0.000000 0.000000 Tc\n0.500001 -0.000000 -0.000000 Ir\n","nsites":4,"nelements":3,"elements":["Al","Tc","Ir"],"chemical_system":"Al-Ir-Tc","density":9.811623567177127,"density_atomic":0.06866984133048265,"volume":58.24973412636085,"volume_molar":8.769702453538017,"formula_full":"Al2 Tc1 Ir1","formula_reduced":"Al2TcIr","formula_anonymous":"ABC2","energy_above_hull":3.2542845499999995,"spacegroup":12},{"id":"jvasp-81752","created_at":"2022-09-04T14:37:06.724683Z","updated_at":"2022-09-04T14:37:06.724717Z","structure_string":"Al2 Tc1 Au1\n1.0\n-10.517770 1.996494 -2.812175\n-3.075649 0.678158 -3.362285\n-3.853336 -1.521469 -2.015294\nAl Tc Au\n2 1 1\ndirect\n0.762944 -0.014223 -0.014220 Al\n0.237056 0.014220 0.014221 Al\n0.000000 0.000000 0.000000 Tc\n0.500000 -0.000001 0.000001 Au\n","nsites":4,"nelements":3,"elements":["Al","Tc","Au"],"chemical_system":"Al-Au-Tc","density":9.47327503318866,"density_atomic":0.06539931054762964,"volume":61.162724293352326,"volume_molar":9.208263373990981,"formula_full":"Al2 Tc1 Au1","formula_reduced":"Al2TcAu","formula_anonymous":"ABC2","energy_above_hull":2.2886386675,"spacegroup":12}]}