{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3374","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3372","results":[{"id":"jvasp-117111","created_at":"2022-09-04T14:38:43.197833Z","updated_at":"2022-09-04T14:38:43.197860Z","structure_string":"Ce4 Ni4 P4\n1.0\n3.958162 0.000000 0.000000\n-1.979082 3.427869 0.000000\n-0.000000 -0.000000 15.842517\nCe Ni P\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.250000 Ce\n0.000000 0.000000 0.750000 Ce\n0.333334 0.666667 0.378519 Ni\n0.666667 0.333333 0.621481 Ni\n0.666667 0.333333 0.878519 Ni\n0.333334 0.666667 0.121481 Ni\n0.333334 0.666667 0.873045 P\n0.666667 0.333333 0.126955 P\n0.666667 0.333333 0.373045 P\n0.333334 0.666667 0.626955 P\n","nsites":12,"nelements":3,"elements":["Ce","Ni","P"],"chemical_system":"Ce-Ni-P","density":7.100441060542231,"density_atomic":0.05582635624900038,"volume":214.95223414683937,"volume_molar":10.787271755906213,"formula_full":"Ce4 Ni4 P4","formula_reduced":"CeNiP","formula_anonymous":"ABC","energy_above_hull":1.4248044666666664,"spacegroup":194},{"id":"jvasp-101191","created_at":"2022-09-04T14:36:45.061675Z","updated_at":"2022-09-04T14:36:45.061703Z","structure_string":"Ge1 Sb2 Te4\n1.0\n4.263871 -0.013424 12.699717\n2.063903 3.731097 12.699717\n-0.022848 -0.013424 13.396376\nGe Sb Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.858775 0.858780 0.858778 Sb\n0.141222 0.141223 0.141222 Sb\n0.569929 0.569932 0.569931 Te\n0.430068 0.430070 0.430069 Te\n0.708262 0.708266 0.708264 Te\n0.291736 0.291737 0.291736 Te\n","nsites":7,"nelements":3,"elements":["Ge","Sb","Te"],"chemical_system":"Ge-Sb-Te","density":6.385234118928449,"density_atomic":0.03256502258047947,"volume":214.95455692378445,"volume_molar":18.492665697120895,"formula_full":"Ge1 Sb2 Te4","formula_reduced":"Ge(SbTe2)2","formula_anonymous":"AB2C4","energy_above_hull":1.248644173809524,"spacegroup":166},{"id":"jvasp-4071","created_at":"2022-09-04T14:36:20.240959Z","updated_at":"2022-09-04T14:36:20.240988Z","structure_string":"Ga1 Cu1 I4\n1.0\n5.517797 0.000062 -2.593634\n-1.219167 5.381452 -2.593575\n0.021900 0.027337 7.212796\nGa Cu I\n1 1 4\ndirect\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 -0.000000 Cu\n0.632514 0.634091 0.754558 I\n0.879534 0.367486 0.245443 I\n0.365909 0.877956 0.245442 I\n0.122043 0.120467 0.754558 I\n","nsites":6,"nelements":3,"elements":["Ga","Cu","I"],"chemical_system":"Cu-Ga-I","density":4.950796205870421,"density_atomic":0.027912312671586125,"volume":214.9588989846698,"volume_molar":21.57521245500504,"formula_full":"Ga1 Cu1 I4","formula_reduced":"GaCuI4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":82},{"id":"jvasp-122137","created_at":"2022-09-04T14:38:55.498597Z","updated_at":"2022-09-04T14:38:55.498624Z","structure_string":"Ba3 Cd1 Si2 O8\n1.0\n5.774166 -0.000000 0.000000\n-2.887083 5.000575 0.000000\n-0.000000 -0.000000 7.444768\nBa Cd Si O\n3 1 2 8\ndirect\n0.333334 0.666667 0.667715 Ba\n0.666667 0.333334 0.332285 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Cd\n0.333334 0.666667 0.221006 Si\n0.666667 0.333334 0.778994 Si\n0.333334 0.666667 0.004327 O\n0.666667 0.333334 0.995673 O\n0.179183 0.820818 0.304832 O\n0.820818 0.179183 0.695169 O\n0.179183 0.358365 0.304832 O\n0.820819 0.641636 0.695169 O\n0.641636 0.820818 0.304832 O\n0.358365 0.179183 0.695169 O\n","nsites":14,"nelements":4,"elements":["Ba","Cd","Si","O"],"chemical_system":"Ba-Cd-O-Si","density":5.473488966127321,"density_atomic":0.0651279872552505,"volume":214.96134903004153,"volume_molar":9.246625012988568,"formula_full":"Ba3 Cd1 Si2 O8","formula_reduced":"Ba3Cd(SiO4)2","formula_anonymous":"AB2C3D8","energy_above_hull":null,"spacegroup":164},{"id":"jvasp-9846","created_at":"2022-09-04T14:38:05.685238Z","updated_at":"2022-09-04T14:38:05.685259Z","structure_string":"Ca4 Al2 Fe2 O10\n1.0\n-5.226241 0.000360 -0.000222\n-0.000363 -5.509247 -0.001530\n2.612882 2.752412 7.466850\nCa Al Fe O\n4 2 2 10\ndirect\n0.105146 0.580316 0.220380 Ca\n0.384838 0.859975 0.779702 Ca\n0.884837 0.419725 0.779702 Ca\n0.605146 0.140063 0.220380 Ca\n0.210767 0.176871 0.500038 Al\n0.710767 0.823166 0.500043 Al\n0.504851 0.500017 0.000038 Fe\n0.004851 0.000019 0.000037 Fe\n0.764473 0.764627 0.022880 O\n0.741743 0.235517 0.977197 O\n0.887045 0.785131 0.704932 O\n0.182180 0.214916 0.295154 O\n0.869985 0.114293 0.500039 O\n0.682179 0.580234 0.295152 O\n0.369985 0.885745 0.500039 O\n0.264474 0.758251 0.022881 O\n0.387046 0.419802 0.704934 O\n0.241744 0.241680 0.977197 O\n","nsites":18,"nelements":4,"elements":["Ca","Al","Fe","O"],"chemical_system":"Al-Ca-Fe-O","density":3.7538819465107913,"density_atomic":0.08373447844513587,"volume":214.96521306684772,"volume_molar":7.191948731066379,"formula_full":"Ca4 Al2 Fe2 O10","formula_reduced":"Ca2AlFeO5","formula_anonymous":"ABC2D5","energy_above_hull":1.8313440711111109,"spacegroup":46},{"id":"jvasp-11409","created_at":"2022-09-04T14:37:32.212055Z","updated_at":"2022-09-04T14:37:32.212084Z","structure_string":"Si2 Cu4 S6\n1.0\n6.276560 0.030545 0.953356\n1.514591 5.330416 3.124386\n0.028631 0.010514 6.444514\nSi Cu S\n2 4 6\ndirect\n0.020607 0.060128 0.830377 Si\n0.520607 0.890505 0.169624 Si\n0.996790 0.752291 0.490202 Cu\n0.496790 0.242492 0.509799 Cu\n0.499715 0.586308 0.825047 Cu\n0.999715 0.411355 0.174954 Cu\n0.117486 0.353359 0.523228 S\n0.617486 0.876587 0.476773 S\n0.645667 0.185335 0.849308 S\n0.145666 0.034644 0.150692 S\n0.117037 0.709969 0.831253 S\n0.617037 0.541222 0.168748 S\n","nsites":12,"nelements":3,"elements":["Si","Cu","S"],"chemical_system":"Cu-S-Si","density":3.8832789175806157,"density_atomic":0.05581911846385541,"volume":214.9801059250043,"volume_molar":10.78867048733405,"formula_full":"Si2 Cu4 S6","formula_reduced":"Cu2SiS3","formula_anonymous":"AB2C3","energy_above_hull":1.3902499166666666,"spacegroup":9},{"id":"jvasp-63813","created_at":"2022-09-04T14:35:54.957072Z","updated_at":"2022-09-04T14:35:54.957097Z","structure_string":"Na4 Bi2 Au2\n1.0\n3.805431 -4.730424 0.000000\n3.805431 4.730424 0.000000\n0.000000 0.000000 5.971542\nNa Bi Au\n4 2 2\ndirect\n0.496487 0.136884 0.250000 Na\n0.503513 0.863115 0.750000 Na\n0.136884 0.496487 0.250000 Na\n0.863115 0.503513 0.750000 Na\n0.685972 0.685972 0.250000 Bi\n0.314027 0.314027 0.750000 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n","nsites":8,"nelements":3,"elements":["Na","Bi","Au"],"chemical_system":"Au-Bi-Na","density":6.981142461325662,"density_atomic":0.03721084900218028,"volume":214.99106348074076,"volume_molar":16.183830580288955,"formula_full":"Na4 Bi2 Au2","formula_reduced":"Na2BiAu","formula_anonymous":"ABC2","energy_above_hull":3.249999999999087e-05,"spacegroup":63},{"id":"jvasp-63341","created_at":"2022-09-04T14:35:53.421333Z","updated_at":"2022-09-04T14:35:53.421359Z","structure_string":"Na4 Bi2 Au2\n1.0\n3.806344 -4.731135 0.000000\n3.806344 4.731135 0.000000\n-0.000000 0.000000 5.969655\nNa Bi Au\n4 2 2\ndirect\n0.496380 0.136916 0.250000 Na\n0.503619 0.863083 0.750001 Na\n0.136916 0.496380 0.250000 Na\n0.863083 0.503619 0.750001 Na\n0.685975 0.685975 0.250000 Bi\n0.314024 0.314024 0.750001 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n","nsites":8,"nelements":3,"elements":["Na","Bi","Au"],"chemical_system":"Au-Bi-Na","density":6.9806249326636305,"density_atomic":0.037208090473615105,"volume":215.0070024602025,"volume_molar":16.185030415012573,"formula_full":"Na4 Bi2 Au2","formula_reduced":"Na2BiAu","formula_anonymous":"ABC2","energy_above_hull":3.499999999999337e-05,"spacegroup":63},{"id":"jvasp-66374","created_at":"2022-09-04T14:35:47.064939Z","updated_at":"2022-09-04T14:35:47.064966Z","structure_string":"Ba4 Zr1 Tc1\n1.0\n-0.000000 4.754895 4.754895\n4.754895 -0.000000 4.754895\n4.754895 4.754895 -0.000000\nBa Zr Tc\n4 1 1\ndirect\n0.126582 0.624472 0.624472 Ba\n0.624472 0.624472 0.624472 Ba\n0.624472 0.126582 0.624472 Ba\n0.624472 0.624472 0.126582 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Tc\n","nsites":6,"nelements":3,"elements":["Ba","Zr","Tc"],"chemical_system":"Ba-Tc-Zr","density":5.703817565047792,"density_atomic":0.027906056006739264,"volume":215.00709374879096,"volume_molar":21.58004971589559,"formula_full":"Ba4 Zr1 Tc1","formula_reduced":"Ba4ZrTc","formula_anonymous":"ABC4","energy_above_hull":1.8630533133333331,"spacegroup":216},{"id":"jvasp-66637","created_at":"2022-09-04T14:36:22.415257Z","updated_at":"2022-09-04T14:36:22.415282Z","structure_string":"Ba4 Mn1 Pt1\n1.0\n0.000000 4.755004 4.755004\n4.755004 -0.000000 4.755004\n4.755004 4.755004 -0.000000\nBa Mn Pt\n4 1 1\ndirect\n0.123422 0.625526 0.625526 Ba\n0.625526 0.625526 0.625526 Ba\n0.625526 0.123422 0.625526 Ba\n0.625526 0.625526 0.123422 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Pt\n","nsites":6,"nelements":3,"elements":["Ba","Mn","Pt"],"chemical_system":"Ba-Mn-Pt","density":6.172947443374902,"density_atomic":0.027904136960796307,"volume":215.0218803910564,"volume_molar":21.581533836580427,"formula_full":"Ba4 Mn1 Pt1","formula_reduced":"Ba4MnPt","formula_anonymous":"ABC4","energy_above_hull":1.2805654202298848,"spacegroup":216},{"id":"jvasp-12102","created_at":"2022-09-04T14:37:19.648563Z","updated_at":"2022-09-04T14:37:19.648575Z","structure_string":"Ni4 Sb2 Te4\n1.0\n3.943975 0.000000 -0.000000\n-1.971987 3.415582 -0.000000\n-0.000000 -0.000000 15.964550\nNi Sb Te\n4 2 4\ndirect\n0.000000 0.000000 0.166287 Ni\n0.000000 0.000000 0.666287 Ni\n0.000000 0.000000 0.833713 Ni\n0.000000 0.000000 0.333713 Ni\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.588838 Te\n0.666667 0.333333 0.088838 Te\n0.666667 0.333333 0.411162 Te\n0.333333 0.666667 0.911162 Te\n","nsites":10,"nelements":3,"elements":["Ni","Sb","Te"],"chemical_system":"Ni-Sb-Te","density":7.634054734386869,"density_atomic":0.04649908950144874,"volume":215.05797440804594,"volume_molar":12.951093934457301,"formula_full":"Ni4 Sb2 Te4","formula_reduced":"Ni2SbTe2","formula_anonymous":"AB2C2","energy_above_hull":1.1236192866666666,"spacegroup":194},{"id":"jvasp-58363","created_at":"2022-09-04T14:37:18.711071Z","updated_at":"2022-09-04T14:37:18.711101Z","structure_string":"Li2 Y4 Si4\n1.0\n7.156745 -0.000000 -0.000000\n-0.000000 7.156745 0.000000\n-0.000000 0.000000 4.199030\nLi Y Si\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.821183 0.678816 0.500000 Y\n0.178816 0.321183 0.500000 Y\n0.678816 0.178816 0.500000 Y\n0.321183 0.821183 0.500000 Y\n0.618950 0.881049 0.000000 Si\n0.381049 0.118951 0.000000 Si\n0.881049 0.381049 0.000000 Si\n0.118951 0.618950 0.000000 Si\n","nsites":10,"nelements":3,"elements":["Li","Y","Si"],"chemical_system":"Li-Si-Y","density":3.7203050641314968,"density_atomic":0.04649646500963398,"volume":215.0701133500798,"volume_molar":12.951824958633358,"formula_full":"Li2 Y4 Si4","formula_reduced":"Li(YSi)2","formula_anonymous":"AB2C2","energy_above_hull":2.5865556200000004,"spacegroup":127}]}