{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=3567","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=3565","results":[{"id":"jvasp-15340","created_at":"2022-09-04T14:37:02.686758Z","updated_at":"2022-09-04T14:37:02.686780Z","structure_string":"Nd1 Ag2 Ge2\n1.0\n4.052727 -0.000000 -1.462972\n-0.528110 4.018171 -1.462972\n-0.003200 -0.003649 6.336055\nNd Ag Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Ag\n0.750001 0.250000 0.500000 Ag\n0.610478 0.610477 0.220954 Ge\n0.389523 0.389522 0.779046 Ge\n","nsites":5,"nelements":3,"elements":["Nd","Ag","Ge"],"chemical_system":"Ag-Ge-Nd","density":8.134860004204269,"density_atomic":0.04847942362278584,"volume":103.13653971847032,"volume_molar":12.42205519367918,"formula_full":"Nd1 Ag2 Ge2","formula_reduced":"Nd(AgGe)2","formula_anonymous":"AB2C2","energy_above_hull":0.4918135839999998,"spacegroup":139},{"id":"jvasp-10116","created_at":"2022-09-04T14:38:15.768158Z","updated_at":"2022-09-04T14:38:15.768178Z","structure_string":"Ba2 Cu4 O4\n1.0\n5.177490 0.000000 -2.559020\n-1.264818 5.020622 -2.559020\n0.003681 0.004723 6.524588\nBa Cu O\n2 4 4\ndirect\n0.875000 0.124999 0.750000 Ba\n0.124999 0.875000 0.250000 Ba\n0.500000 0.499999 0.500000 Cu\n0.500000 -0.000000 -0.000000 Cu\n-0.000000 0.499999 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.613332 0.863333 0.226666 O\n0.863332 0.613332 0.726666 O\n0.386667 0.136666 0.773334 O\n0.136667 0.386667 0.273334 O\n","nsites":10,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":5.80006845875633,"density_atomic":0.05891823751532049,"volume":169.7267335500269,"volume_molar":10.221182801732764,"formula_full":"Ba2 Cu4 O4","formula_reduced":"Ba(CuO)2","formula_anonymous":"AB2C2","energy_above_hull":0.4917867740000001,"spacegroup":141},{"id":"jvasp-100511","created_at":"2022-09-04T14:37:01.585078Z","updated_at":"2022-09-04T14:37:01.585098Z","structure_string":"Ti1 Zn2 Pd1\n1.0\n3.783806 -0.000000 2.184582\n1.261269 3.567407 2.184582\n0.000000 -0.000000 4.369163\nTi Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.249999 Zn\n0.750001 0.750001 0.749998 Zn\n0.500000 0.500000 0.499999 Pd\n","nsites":4,"nelements":3,"elements":["Ti","Zn","Pd"],"chemical_system":"Pd-Ti-Zn","density":8.027386289224017,"density_atomic":0.06782350388145711,"volume":58.9766050275323,"volume_molar":8.879135425568078,"formula_full":"Ti1 Zn2 Pd1","formula_reduced":"TiZn2Pd","formula_anonymous":"ABC2","energy_above_hull":0.4916162083333334,"spacegroup":225},{"id":"jvasp-12812","created_at":"2022-09-04T14:38:30.354562Z","updated_at":"2022-09-04T14:38:30.354591Z","structure_string":"Rb12 Tl4 O12\n1.0\n0.000000 7.852954 -0.045493\n7.132241 0.000000 0.000000\n0.000000 -0.747258 -11.539419\nRb Tl O\n12 4 12\ndirect\n0.944034 0.871129 0.344168 Rb\n0.944034 0.628870 0.844168 Rb\n0.360750 0.187183 0.425439 Rb\n0.629598 0.295916 0.689284 Rb\n0.370401 0.795916 0.810716 Rb\n0.370401 0.704084 0.310715 Rb\n0.629598 0.204084 0.189284 Rb\n0.360750 0.312817 0.925439 Rb\n0.639249 0.812817 0.574561 Rb\n0.639249 0.687183 0.074561 Rb\n0.055965 0.371129 0.155832 Rb\n0.055965 0.128870 0.655832 Rb\n0.165605 0.903970 0.070644 Tl\n0.834394 0.096030 0.929356 Tl\n0.165605 0.596030 0.570644 Tl\n0.834394 0.403970 0.429356 Tl\n0.691235 0.930829 0.803141 O\n0.890186 0.966363 0.107051 O\n0.109814 0.466363 0.392948 O\n0.737937 0.371288 0.962146 O\n0.262062 0.871288 0.537854 O\n0.262062 0.628712 0.037854 O\n0.737937 0.128712 0.462146 O\n0.691236 0.569171 0.303141 O\n0.109813 0.033637 0.892948 O\n0.308764 0.069171 0.196859 O\n0.308763 0.430829 0.696859 O\n0.890186 0.533637 0.607051 O\n","nsites":28,"nelements":3,"elements":["Rb","Tl","O"],"chemical_system":"O-Rb-Tl","density":5.2268183093103815,"density_atomic":0.04330640496119872,"volume":646.5556313225997,"volume_molar":13.905889360697712,"formula_full":"Rb12 Tl4 O12","formula_reduced":"Rb3TlO3","formula_anonymous":"AB3C3","energy_above_hull":0.4915138571428574,"spacegroup":14},{"id":"jvasp-80029","created_at":"2022-09-04T14:37:18.619445Z","updated_at":"2022-09-04T14:37:18.619466Z","structure_string":"Li2 Tm1 In1\n1.0\n-0.000000 3.370062 3.370062\n3.370062 0.000000 3.370062\n3.370062 3.370062 0.000000\nLi Tm In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.749999 0.749999 0.749999 Tm\n0.250000 0.250000 0.250000 In\n","nsites":4,"nelements":3,"elements":["Li","Tm","In"],"chemical_system":"In-Li-Tm","density":6.456368008209261,"density_atomic":0.05225361285886256,"volume":76.54973084452615,"volume_molar":11.524831357146255,"formula_full":"Li2 Tm1 In1","formula_reduced":"Li2TmIn","formula_anonymous":"ABC2","energy_above_hull":0.491418555,"spacegroup":225},{"id":"jvasp-36758","created_at":"2022-09-04T14:38:05.191031Z","updated_at":"2022-09-04T14:38:05.191058Z","structure_string":"Cd2 Ag2 O4\n1.0\n3.443513 0.000000 -0.000000\n0.000000 4.513540 0.000000\n0.000000 0.000000 6.839225\nCd Ag O\n2 2 4\ndirect\n0.513268 0.500000 0.250000 Cd\n0.486731 0.500000 0.750001 Cd\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.634796 0.000000 0.750001 O\n0.365203 0.000000 0.250000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n","nsites":8,"nelements":3,"elements":["Cd","Ag","O"],"chemical_system":"Ag-Cd-O","density":7.88192972483604,"density_atomic":0.0752599755504546,"volume":106.29820088948563,"volume_molar":8.001784103640496,"formula_full":"Cd2 Ag2 O4","formula_reduced":"CdAgO2","formula_anonymous":"ABC2","energy_above_hull":0.4913285024999999,"spacegroup":51},{"id":"jvasp-107768","created_at":"2022-09-04T14:35:57.257277Z","updated_at":"2022-09-04T14:35:57.257300Z","structure_string":"Cu2 Ni1 Sb1\n1.0\n3.754225 0.000000 2.167503\n1.251408 3.539517 2.167503\n0.000000 0.000000 4.335005\nCu Ni Sb\n2 1 1\ndirect\n0.749999 0.750001 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.499999 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sb\n","nsites":4,"nelements":3,"elements":["Cu","Ni","Sb"],"chemical_system":"Cu-Ni-Sb","density":8.8655244195946,"density_atomic":0.06943942063118647,"volume":57.60416725313992,"volume_molar":8.67251008902478,"formula_full":"Cu2 Ni1 Sb1","formula_reduced":"Cu2NiSb","formula_anonymous":"ABC2","energy_above_hull":0.4912223500000001,"spacegroup":225},{"id":"jvasp-40530","created_at":"2022-09-04T14:37:45.930025Z","updated_at":"2022-09-04T14:37:45.930050Z","structure_string":"Li1 Y1 Tl2\n1.0\n0.000000 3.651876 3.651876\n3.651876 0.000000 3.651876\n3.651876 3.651876 0.000000\nLi Y Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Y\n0.500001 0.500001 0.500001 Tl\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":3,"elements":["Li","Y","Tl"],"chemical_system":"Li-Tl-Y","density":8.602602503448235,"density_atomic":0.041065955095724645,"volume":97.40428514753911,"volume_molar":14.664557894641447,"formula_full":"Li1 Y1 Tl2","formula_reduced":"LiYTl2","formula_anonymous":"ABC2","energy_above_hull":0.4912151624999999,"spacegroup":225},{"id":"jvasp-36385","created_at":"2022-09-04T14:37:27.690924Z","updated_at":"2022-09-04T14:37:27.690952Z","structure_string":"Ca2 Si1\n1.0\n3.569385 3.569385 0.000000\n3.569385 -0.000000 -3.569385\n0.000000 3.569385 -3.569385\nCa Si\n2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Ca\n0.000000 0.000000 0.000000 Si\n","nsites":3,"nelements":2,"elements":["Ca","Si"],"chemical_system":"Ca-Si","density":1.9762083098531682,"density_atomic":0.032984588952842134,"volume":90.95156542011428,"volume_molar":18.257437643409226,"formula_full":"Ca2 Si1","formula_reduced":"Ca2Si","formula_anonymous":"AB2","energy_above_hull":0.4911898133333331,"spacegroup":225},{"id":"jvasp-66084","created_at":"2022-09-04T14:36:14.090211Z","updated_at":"2022-09-04T14:36:14.090237Z","structure_string":"K1 Ba1 Be1\n1.0\n-0.000000 3.951252 3.951252\n3.951252 -0.000000 3.951252\n3.951252 3.951252 0.000000\nK Ba Be\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Be\n","nsites":3,"nelements":3,"elements":["K","Ba","Be"],"chemical_system":"Ba-Be-K","density":2.4958152687273665,"density_atomic":0.024315716599992755,"volume":123.37699313376986,"volume_molar":24.766453973237187,"formula_full":"K1 Ba1 Be1","formula_reduced":"KBaBe","formula_anonymous":"ABC","energy_above_hull":0.4911866899999998,"spacegroup":216},{"id":"jvasp-42800","created_at":"2022-09-04T14:35:40.810879Z","updated_at":"2022-09-04T14:35:40.810898Z","structure_string":"Na6 Ni2 O4\n1.0\n0.000000 -0.000000 5.903347\n2.646521 -5.236335 2.951673\n5.293039 0.000000 0.000000\nNa Ni O\n6 2 4\ndirect\n0.487877 0.524247 0.237877 Na\n0.750000 0.000000 0.500000 Na\n0.250000 0.000000 0.500000 Na\n0.987877 0.524247 0.237877 Na\n0.512124 0.475752 0.762124 Na\n0.012123 0.475752 0.762124 Na\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.000000 Ni\n0.375178 0.249645 0.126013 O\n0.875178 0.249645 0.624343 O\n0.124822 0.750354 0.375658 O\n0.624822 0.750354 0.873988 O\n","nsites":12,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":3.240772093764935,"density_atomic":0.07334160621620046,"volume":163.61790556680384,"volume_molar":8.211083818164003,"formula_full":"Na6 Ni2 O4","formula_reduced":"Na3NiO2","formula_anonymous":"AB2C3","energy_above_hull":0.4910560666666669,"spacegroup":72},{"id":"jvasp-110348","created_at":"2022-09-04T14:38:39.235143Z","updated_at":"2022-09-04T14:38:39.235172Z","structure_string":"K2 Li1 Mo1 Cl6\n1.0\n6.059880 -0.000000 3.498673\n2.019960 5.713309 3.498673\n0.000000 0.000000 6.997346\nK Li Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.753055 0.246945 0.246945 Cl\n0.246945 0.246945 0.753055 Cl\n0.246945 0.753055 0.753054 Cl\n0.246945 0.753055 0.246945 Cl\n0.753055 0.246945 0.753054 Cl\n0.753055 0.753055 0.246945 Cl\n","nsites":10,"nelements":4,"elements":["K","Li","Mo","Cl"],"chemical_system":"Cl-K-Li-Mo","density":2.6991987882131556,"density_atomic":0.04127764517292326,"volume":242.26188190017348,"volume_molar":14.589351535853408,"formula_full":"K2 Li1 Mo1 Cl6","formula_reduced":"K2LiMoCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.4910096304999999,"spacegroup":225}]}