{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=123","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=121","results":[{"id":"jvasp-115191","created_at":"2022-09-04T14:38:45.227504Z","updated_at":"2022-09-04T14:38:45.227533Z","structure_string":"Li1 I2\n1.0\n5.730443 -0.000000 -0.000000\n-2.865222 4.962710 -0.000000\n0.000000 0.000000 4.460994\nLi I\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333334 0.666667 0.000000 I\n0.666666 0.333334 0.000000 I\n","nsites":3,"nelements":2,"elements":["Li","I"],"chemical_system":"I-Li","density":3.412986582280783,"density_atomic":0.02364735226890834,"volume":126.86409733678367,"volume_molar":25.466448385081748,"formula_full":"Li1 I2","formula_reduced":"LiI2","formula_anonymous":"AB2","energy_above_hull":0.2475587583333334,"spacegroup":191},{"id":"jvasp-64216","created_at":"2022-09-04T14:36:10.641557Z","updated_at":"2022-09-04T14:36:10.641581Z","structure_string":"Ba4 Be1 Zn1\n1.0\n0.000000 5.024530 5.024530\n5.024530 -0.000000 5.024530\n5.024530 5.024530 0.000000\nBa Be Zn\n4 1 1\ndirect\n0.125512 0.624830 0.624830 Ba\n0.624830 0.624830 0.624830 Ba\n0.624830 0.125512 0.624830 Ba\n0.624830 0.624830 0.125512 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Zn\n","nsites":6,"nelements":3,"elements":["Ba","Be","Zn"],"chemical_system":"Ba-Be-Zn","density":4.082524827414831,"density_atomic":0.023650205779901824,"volume":253.69758114742743,"volume_molar":25.46337573568884,"formula_full":"Ba4 Be1 Zn1","formula_reduced":"Ba4BeZn","formula_anonymous":"ABC4","energy_above_hull":0.0003383966666666,"spacegroup":216},{"id":"jvasp-64691","created_at":"2022-09-04T14:36:05.138552Z","updated_at":"2022-09-04T14:36:05.138576Z","structure_string":"Ba4 Ti1 Tl1\n1.0\n0.000000 5.024387 5.024387\n5.024387 0.000000 5.024387\n5.024387 5.024387 0.000000\nBa Ti Tl\n4 1 1\ndirect\n0.124352 0.625217 0.625217 Ba\n0.625217 0.625217 0.625217 Ba\n0.625217 0.124352 0.625217 Ba\n0.625217 0.625217 0.124352 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Tl\n","nsites":6,"nelements":3,"elements":["Ba","Ti","Tl"],"chemical_system":"Ba-Ti-Tl","density":5.246926342924867,"density_atomic":0.02365222517590929,"volume":253.67592078022466,"volume_molar":25.4612017060187,"formula_full":"Ba4 Ti1 Tl1","formula_reduced":"Ba4TiTl","formula_anonymous":"ABC4","energy_above_hull":0.5302091355555555,"spacegroup":216},{"id":"jvasp-94824","created_at":"2022-09-04T14:36:17.329962Z","updated_at":"2022-09-04T14:36:17.329974Z","structure_string":"Ac6 Nd2\n1.0\n7.851017 -0.000000 0.000000\n-3.925508 6.799180 0.000000\n-0.000000 0.000000 6.335413\nAc Nd\n6 2\ndirect\n0.831102 0.168898 0.750000 Ac\n0.337796 0.168898 0.750000 Ac\n0.831102 0.662203 0.750000 Ac\n0.168898 0.831101 0.250001 Ac\n0.662203 0.831101 0.250001 Ac\n0.168899 0.337797 0.250001 Ac\n0.666667 0.333332 0.250001 Nd\n0.333333 0.666666 0.750000 Nd\n","nsites":8,"nelements":2,"elements":["Ac","Nd"],"chemical_system":"Ac-Nd","density":8.104067098147148,"density_atomic":0.023655525438788825,"volume":338.18737278530745,"volume_molar":25.457649527096432,"formula_full":"Ac6 Nd2","formula_reduced":"Ac3Nd","formula_anonymous":"AB3","energy_above_hull":0.9719378749999998,"spacegroup":194},{"id":"jvasp-42943","created_at":"2022-09-04T14:36:06.959185Z","updated_at":"2022-09-04T14:36:06.959218Z","structure_string":"Ba2 Ca4 I12\n1.0\n-0.000000 7.663398 0.000000\n-12.150897 3.831699 -0.103170\n-0.205393 0.000000 8.165693\nBa Ca I\n2 4 12\ndirect\n0.780958 -0.000000 0.750000 Ba\n0.219042 -0.000000 0.250000 Ba\n0.407456 0.658799 0.844833 Ca\n0.933746 0.658799 0.344833 Ca\n0.066254 0.341201 0.655166 Ca\n0.592545 0.341201 0.155167 Ca\n0.823854 0.216321 0.460804 I\n0.959827 0.216321 0.960804 I\n0.196557 0.423735 0.318456 I\n0.379708 0.423735 0.818456 I\n0.620292 0.576264 0.181544 I\n0.176146 0.783680 0.539196 I\n0.040173 0.783680 0.039196 I\n0.348026 0.127789 0.588462 I\n0.651974 0.872211 0.411538 I\n0.475815 0.872211 0.911538 I\n0.803443 0.576264 0.681543 I\n0.524185 0.127789 0.088462 I\n","nsites":18,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.274706166516078,"density_atomic":0.02366775115828995,"volume":760.5285301343578,"volume_molar":25.44449922480558,"formula_full":"Ba2 Ca4 I12","formula_reduced":"BaCa2I6","formula_anonymous":"AB2C6","energy_above_hull":0.0031222222222226,"spacegroup":15},{"id":"jvasp-64506","created_at":"2022-09-04T14:36:15.918387Z","updated_at":"2022-09-04T14:36:15.918413Z","structure_string":"Ba4 Y1 Zr1\n1.0\n-0.000000 5.023141 5.023141\n5.023141 -0.000000 5.023141\n5.023141 5.023141 0.000000\nBa Y Zr\n4 1 1\ndirect\n0.122970 0.625677 0.625677 Ba\n0.625677 0.625677 0.625677 Ba\n0.625677 0.122970 0.625677 Ba\n0.625677 0.625677 0.122970 Ba\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Zr\n","nsites":6,"nelements":3,"elements":["Ba","Y","Zr"],"chemical_system":"Ba-Y-Zr","density":4.778386662655834,"density_atomic":0.02366983048507654,"volume":253.48723996071314,"volume_molar":25.44226399845519,"formula_full":"Ba4 Y1 Zr1","formula_reduced":"Ba4YZr","formula_anonymous":"ABC4","energy_above_hull":1.2863739716666664,"spacegroup":216},{"id":"jvasp-12507","created_at":"2022-09-04T14:37:31.458501Z","updated_at":"2022-09-04T14:37:31.458525Z","structure_string":"Ba4 I8\n1.0\n5.295642 0.000000 0.000000\n-0.000000 8.909377 0.000000\n0.000000 0.000000 10.743266\nBa I\n4 8\ndirect\n0.250000 0.748498 0.620482 Ba\n0.750000 0.251502 0.379518 Ba\n0.250000 0.248498 0.879518 Ba\n0.750000 0.751502 0.120482 Ba\n0.250000 0.527283 0.331559 I\n0.750000 0.472718 0.668441 I\n0.250000 0.027283 0.168441 I\n0.750000 0.972718 0.831560 I\n0.750000 0.856206 0.430337 I\n0.250000 0.143794 0.569663 I\n0.750000 0.356206 0.069663 I\n0.250000 0.643795 0.930338 I\n","nsites":12,"nelements":2,"elements":["Ba","I"],"chemical_system":"Ba-I","density":5.1254798321759845,"density_atomic":0.023674398999927015,"volume":506.8766476410655,"volume_molar":25.437354333761817,"formula_full":"Ba4 I8","formula_reduced":"BaI2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-64178","created_at":"2022-09-04T14:36:19.439930Z","updated_at":"2022-09-04T14:36:19.439959Z","structure_string":"Ba4 Zn1 Sn1\n1.0\n-0.000000 5.022587 5.022587\n5.022587 0.000000 5.022587\n5.022587 5.022587 -0.000000\nBa Zn Sn\n4 1 1\ndirect\n0.128076 0.623975 0.623975 Ba\n0.623975 0.623975 0.623975 Ba\n0.623975 0.128076 0.623975 Ba\n0.623975 0.623975 0.128076 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sn\n","nsites":6,"nelements":3,"elements":["Ba","Zn","Sn"],"chemical_system":"Ba-Sn-Zn","density":4.806108720952273,"density_atomic":0.02367766381829978,"volume":253.40337822360559,"volume_molar":25.433846878701196,"formula_full":"Ba4 Zn1 Sn1","formula_reduced":"Ba4ZnSn","formula_anonymous":"ABC4","energy_above_hull":0.0153219899999999,"spacegroup":216},{"id":"jvasp-100150","created_at":"2022-09-04T14:36:36.200679Z","updated_at":"2022-09-04T14:36:36.200702Z","structure_string":"Ba1 Yb3\n1.0\n5.373657 0.000000 3.102483\n1.791219 5.066333 3.102483\n-0.000000 0.000000 6.204965\nYb Ba\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750001 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Ba\n","nsites":4,"nelements":2,"elements":["Yb","Ba"],"chemical_system":"Ba-Yb","density":6.4527636105424175,"density_atomic":0.023678652361650676,"volume":168.92853270983846,"volume_molar":25.432785058972783,"formula_full":"Ba1 Yb3","formula_reduced":"BaYb3","formula_anonymous":"AB3","energy_above_hull":0.0046925,"spacegroup":225},{"id":"jvasp-66549","created_at":"2022-09-04T14:36:10.911273Z","updated_at":"2022-09-04T14:36:10.911302Z","structure_string":"Ba1 Mg1 Tl1\n1.0\n0.000000 3.985469 3.985469\n3.985469 -0.000000 3.985469\n3.985469 3.985469 0.000000\nBa Mg Tl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n","nsites":3,"nelements":3,"elements":["Ba","Mg","Tl"],"chemical_system":"Ba-Mg-Tl","density":4.80042883157788,"density_atomic":0.023694794842276767,"volume":126.61008546262384,"volume_molar":25.415458543051685,"formula_full":"Ba1 Mg1 Tl1","formula_reduced":"BaMgTl","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-3270","created_at":"2022-09-04T14:36:11.047908Z","updated_at":"2022-09-04T14:36:11.047930Z","structure_string":"K6 Sb2\n1.0\n3.018283 -5.227819 0.000000\n3.018283 5.227819 0.000000\n0.000000 0.000000 10.698348\nK Sb\n6 2\ndirect\n0.333332 0.666667 0.917686 K\n0.666667 0.333332 0.417686 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.333332 0.666667 0.582314 K\n0.666667 0.333332 0.082314 K\n0.666667 0.333332 0.750000 Sb\n0.333332 0.666667 0.250000 Sb\n","nsites":8,"nelements":2,"elements":["K","Sb"],"chemical_system":"K-Sb","density":2.3515245997695198,"density_atomic":0.023695330478996284,"volume":337.61926245727017,"volume_molar":25.414884022563307,"formula_full":"K6 Sb2","formula_reduced":"K3Sb","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-90429","created_at":"2022-09-04T14:35:48.329603Z","updated_at":"2022-09-04T14:35:48.329634Z","structure_string":"K6 Sb2\n1.0\n-3.018234 -5.227727 0.000000\n-3.018234 5.227727 -0.000000\n0.000000 0.000000 -10.698408\nK Sb\n6 2\ndirect\n0.000000 -0.000000 0.750000 K\n-0.000000 0.000000 0.250000 K\n0.666665 0.333334 0.082310 K\n0.333334 0.666665 0.917690 K\n0.333334 0.666665 0.582310 K\n0.666665 0.333334 0.417690 K\n0.666665 0.333334 0.750000 Sb\n0.333334 0.666665 0.250000 Sb\n","nsites":8,"nelements":2,"elements":["K","Sb"],"chemical_system":"K-Sb","density":2.351590971350482,"density_atomic":0.023695999277675007,"volume":337.609733451382,"volume_molar":25.414166709878785,"formula_full":"K6 Sb2","formula_reduced":"K3Sb","formula_anonymous":"AB3","energy_above_hull":5.000000000001531e-06,"spacegroup":194}]}