{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=3445","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=3443","results":[{"id":"jvasp-35347","created_at":"2022-09-04T14:37:42.818413Z","updated_at":"2022-09-04T14:37:42.818435Z","structure_string":"Lu2 Al2 Ge2\n1.0\n4.018007 0.000000 0.000000\n-2.009004 5.140042 -0.000000\n0.000000 -0.000000 5.661988\nLu Al Ge\n2 2 2\ndirect\n0.313035 0.626070 0.250000 Lu\n0.686966 0.373930 0.750000 Lu\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.612969 0.225936 0.250000 Ge\n0.387032 0.774064 0.750000 Ge\n","nsites":6,"nelements":3,"elements":["Lu","Al","Ge"],"chemical_system":"Al-Ge-Lu","density":7.798574000829428,"density_atomic":0.05131034669103371,"volume":116.9354796241998,"volume_molar":11.736698635584053,"formula_full":"Lu2 Al2 Ge2","formula_reduced":"LuAlGe","formula_anonymous":"ABC","energy_above_hull":0.9270848333333332,"spacegroup":63},{"id":"jvasp-25266","created_at":"2022-09-04T14:37:43.974835Z","updated_at":"2022-09-04T14:37:43.974860Z","structure_string":"K2\n1.0\n4.121801 0.957782 -1.769871\n0.977708 4.380592 -0.982992\n-1.362468 -0.038526 8.754539\nK\n2\ndirect\n0.081350 0.314856 0.756083 K\n0.929981 0.670083 0.256094 K\n","nsites":2,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.9241669491843423,"density_atomic":0.014234540774537976,"volume":140.50330331537626,"volume_molar":42.30653349050853,"formula_full":"K2","formula_reduced":"K","formula_anonymous":"A","energy_above_hull":0.0016499999999999,"spacegroup":63},{"id":"jvasp-56303","created_at":"2022-09-04T14:37:44.229998Z","updated_at":"2022-09-04T14:37:44.230025Z","structure_string":"U2 Pt2\n1.0\n3.828470 -0.000000 -1.313643\n0.000000 4.223439 0.000000\n-0.226536 0.000000 5.575441\nU Pt\n2 2\ndirect\n0.129445 0.750000 0.258889 U\n0.870554 0.250000 0.741111 U\n0.602394 0.250000 0.204787 Pt\n0.397605 0.750000 0.795213 Pt\n","nsites":4,"nelements":2,"elements":["U","Pt"],"chemical_system":"Pt-U","density":16.181055632539938,"density_atomic":0.044997317072918055,"volume":88.89418881392436,"volume_molar":13.38333294458675,"formula_full":"U2 Pt2","formula_reduced":"UPt","formula_anonymous":"AB","energy_above_hull":2.5570337000000007,"spacegroup":63},{"id":"jvasp-57361","created_at":"2022-09-04T14:37:44.262041Z","updated_at":"2022-09-04T14:37:44.262061Z","structure_string":"Mn2 Se2 O8\n1.0\n5.034415 0.024102 -0.000000\n-1.903836 4.660615 0.000000\n-0.000000 0.000000 6.728304\nMn Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.644755 0.355244 0.250000 Se\n0.355244 0.644754 0.750000 Se\n0.752965 0.247035 0.457201 O\n0.247035 0.752964 0.542798 O\n0.227488 0.278987 0.750000 O\n0.772511 0.721011 0.250000 O\n0.752965 0.247035 0.042798 O\n0.247035 0.752964 0.957201 O\n0.721012 0.772510 0.750000 O\n0.278988 0.227488 0.250000 O\n","nsites":12,"nelements":3,"elements":["Mn","Se","O"],"chemical_system":"Mn-O-Se","density":4.154980463062189,"density_atomic":0.07586385403961014,"volume":158.17809616862522,"volume_molar":7.938089668968981,"formula_full":"Mn2 Se2 O8","formula_reduced":"MnSeO4","formula_anonymous":"ABC4","energy_above_hull":2.66338243467433,"spacegroup":63},{"id":"jvasp-26412","created_at":"2022-09-04T14:37:44.361206Z","updated_at":"2022-09-04T14:37:44.361233Z","structure_string":"Ba2 Bi2 Cl2 O4\n1.0\n0.000000 5.951502 0.000643\n5.772932 0.000000 0.000000\n0.000000 -2.975059 -6.514197\nBa Bi Cl O\n2 2 2 4\ndirect\n0.380169 0.250000 0.760328 Ba\n0.619831 0.750000 0.239673 Ba\n0.077262 0.250000 0.154533 Bi\n0.922737 0.750000 0.845468 Bi\n0.746321 0.250000 0.492630 Cl\n0.253678 0.750000 0.507370 Cl\n0.228387 0.500005 -0.000004 O\n0.771613 0.499995 0.000004 O\n0.228387 -0.000005 -0.000004 O\n0.771613 0.000005 0.000004 O\n","nsites":10,"nelements":4,"elements":["Ba","Bi","Cl","O"],"chemical_system":"Ba-Bi-Cl-O","density":6.139942050216134,"density_atomic":0.04468250530432014,"volume":223.80123790939598,"volume_molar":13.477625569526309,"formula_full":"Ba2 Bi2 Cl2 O4","formula_reduced":"BaBiClO2","formula_anonymous":"ABCD2","energy_above_hull":0.7538942675000001,"spacegroup":63},{"id":"jvasp-17236","created_at":"2022-09-04T14:37:44.815847Z","updated_at":"2022-09-04T14:37:44.815879Z","structure_string":"Be2 Pd6\n1.0\n2.874156 0.000000 0.000000\n-1.437079 4.851397 0.000000\n-0.000000 -0.000000 7.664593\nBe Pd\n2 6\ndirect\n0.747074 0.494147 0.750000 Be\n0.252927 0.505854 0.250000 Be\n0.432948 0.865895 0.750000 Pd\n0.567053 0.134106 0.250000 Pd\n0.136155 0.272310 0.938770 Pd\n0.863846 0.727691 0.061230 Pd\n0.863846 0.727691 0.438770 Pd\n0.136155 0.272310 0.561229 Pd\n","nsites":8,"nelements":2,"elements":["Be","Pd"],"chemical_system":"Be-Pd","density":10.201098121965492,"density_atomic":0.07485550367868525,"volume":106.87256924139784,"volume_molar":8.045020691931803,"formula_full":"Be2 Pd6","formula_reduced":"BePd3","formula_anonymous":"AB3","energy_above_hull":1.6095758000000004,"spacegroup":63},{"id":"jvasp-59669","created_at":"2022-09-04T14:37:45.209073Z","updated_at":"2022-09-04T14:37:45.209097Z","structure_string":"Ge4 Pt6\n1.0\n3.561783 0.000000 0.000000\n-1.780892 6.142493 -0.000000\n0.000000 -0.000000 7.666665\nGe Pt\n4 6\ndirect\n0.500000 0.000000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.756314 0.512628 0.750000 Ge\n0.243685 0.487371 0.250000 Ge\n0.965930 0.931862 0.750000 Pt\n0.034069 0.068138 0.250000 Pt\n0.160423 0.320848 0.940074 Pt\n0.839576 0.679152 0.059927 Pt\n0.839576 0.679152 0.440073 Pt\n0.160423 0.320848 0.559927 Pt\n","nsites":10,"nelements":2,"elements":["Ge","Pt"],"chemical_system":"Ge-Pt","density":14.464376697511149,"density_atomic":0.05961854683174607,"volume":167.7330383147671,"volume_molar":10.101119668340006,"formula_full":"Ge4 Pt6","formula_reduced":"Ge2Pt3","formula_anonymous":"A2B3","energy_above_hull":1.94104522,"spacegroup":63},{"id":"jvasp-57069","created_at":"2022-09-04T14:37:45.294818Z","updated_at":"2022-09-04T14:37:45.294847Z","structure_string":"Ba2 Ga4 B4 O14\n1.0\n5.844336 -0.000000 -0.000000\n-0.000000 7.050121 -2.116898\n-0.000000 0.022333 7.361043\nBa Ga B O\n2 4 4 14\ndirect\n0.750000 0.195753 0.195753 Ba\n0.250000 0.804247 0.804246 Ba\n0.750000 0.126590 0.709797 Ga\n0.250000 0.290202 0.873410 Ga\n0.750000 0.709797 0.126590 Ga\n0.250000 0.873410 0.290202 Ga\n0.250000 0.504818 0.282474 B\n0.750000 0.495182 0.717525 B\n0.750000 0.717525 0.495182 B\n0.250000 0.282474 0.504818 B\n0.750000 0.585949 0.319902 O\n0.750000 0.905697 0.507835 O\n0.750000 0.507835 0.905697 O\n0.250000 0.680097 0.414050 O\n0.250000 0.094303 0.492164 O\n0.250000 0.334405 0.334405 O\n0.750000 0.665594 0.665594 O\n0.500000 0.867494 0.132506 O\n0.750000 0.319902 0.585949 O\n0.000000 0.867494 0.132506 O\n0.250000 0.414050 0.680097 O\n0.500000 0.132506 0.867494 O\n0.000000 0.132506 0.867494 O\n0.250000 0.492164 0.094303 O\n","nsites":24,"nelements":4,"elements":["Ba","Ga","B","O"],"chemical_system":"B-Ba-Ga-O","density":4.489625874142044,"density_atomic":0.07905779266932368,"volume":303.5753869373155,"volume_molar":7.6173904641999135,"formula_full":"Ba2 Ga4 B4 O14","formula_reduced":"BaGa2B2O7","formula_anonymous":"AB2C2D7","energy_above_hull":2.301849190555556,"spacegroup":63},{"id":"jvasp-17266","created_at":"2022-09-04T14:37:45.597193Z","updated_at":"2022-09-04T14:37:45.597222Z","structure_string":"Sc2 Si2 Pt4\n1.0\n3.702689 0.000000 0.000000\n-1.851345 4.989816 -0.000000\n0.000000 0.000000 7.016519\nSc Si Pt\n2 2 4\ndirect\n0.952837 0.905672 0.250000 Sc\n0.047165 0.094329 0.750000 Sc\n0.233705 0.467408 0.250000 Si\n0.766297 0.532593 0.750000 Si\n0.363327 0.726653 0.547439 Pt\n0.636675 0.273348 0.452562 Pt\n0.636675 0.273348 0.047438 Pt\n0.363327 0.726653 0.952562 Pt\n","nsites":8,"nelements":3,"elements":["Sc","Si","Pt"],"chemical_system":"Pt-Sc-Si","density":11.86678286107016,"density_atomic":0.0617115584710237,"volume":129.63535840301867,"volume_molar":9.75852969720034,"formula_full":"Sc2 Si2 Pt4","formula_reduced":"ScSiPt2","formula_anonymous":"ABC2","energy_above_hull":2.4636916625,"spacegroup":63},{"id":"jvasp-25097","created_at":"2022-09-04T14:37:46.389411Z","updated_at":"2022-09-04T14:37:46.389436Z","structure_string":"Ga2\n1.0\n2.633518 0.000000 -0.938924\n0.000000 3.423523 -0.000000\n0.040638 -0.000000 4.276726\nGa\n2\ndirect\n0.866754 0.250000 0.733508 Ga\n0.133248 0.749999 0.266494 Ga\n","nsites":2,"nelements":1,"elements":["Ga"],"chemical_system":"Ga","density":5.985016934752339,"density_atomic":0.05169400978804394,"volume":38.68920225380872,"volume_molar":11.649591093227269,"formula_full":"Ga2","formula_reduced":"Ga","formula_anonymous":"A","energy_above_hull":0.024672325,"spacegroup":63},{"id":"jvasp-56811","created_at":"2022-09-04T14:37:46.710354Z","updated_at":"2022-09-04T14:37:46.710374Z","structure_string":"Ba6 W2 Cl4 O10\n1.0\n5.839850 -0.000000 -0.000000\n-2.919924 6.913101 0.000000\n-0.000000 0.000000 11.603689\nBa W Cl O\n6 2 4 10\ndirect\n0.650352 0.300704 0.956755 Ba\n0.349649 0.699296 0.456755 Ba\n0.650352 0.300704 0.543245 Ba\n0.907661 0.815320 0.750000 Ba\n0.349649 0.699296 0.043245 Ba\n0.092340 0.184680 0.250000 Ba\n0.756888 0.513776 0.250000 W\n0.243113 0.486224 0.750000 W\n0.506256 0.012512 0.250000 Cl\n0.000000 0.000000 0.500000 Cl\n0.493745 0.987488 0.750000 Cl\n0.000000 0.000000 0.000000 Cl\n0.944968 0.441630 0.363387 O\n0.944968 0.441630 0.136613 O\n0.115110 0.230219 0.750000 O\n0.503338 0.558370 0.636613 O\n0.055032 0.558370 0.863387 O\n0.884891 0.769781 0.250000 O\n0.055032 0.558370 0.636613 O\n0.503338 0.558370 0.863387 O\n0.496663 0.441630 0.136613 O\n0.496663 0.441630 0.363387 O\n","nsites":22,"nelements":4,"elements":["Ba","W","Cl","O"],"chemical_system":"Ba-Cl-O-W","density":5.2938121768885855,"density_atomic":0.04696258631966613,"volume":468.4580157116953,"volume_molar":12.823273230755095,"formula_full":"Ba6 W2 Cl4 O10","formula_reduced":"Ba3WCl2O5","formula_anonymous":"AB2C3D5","energy_above_hull":1.875507595,"spacegroup":63},{"id":"jvasp-109013","created_at":"2022-09-04T14:37:46.912221Z","updated_at":"2022-09-04T14:37:46.912240Z","structure_string":"Mo2 O6\n1.0\n7.386014 0.039823 0.000000\n-6.443238 3.611022 0.000000\n-0.000000 -0.000000 3.754486\nMo O\n2 6\ndirect\n0.104793 0.895206 0.250000 Mo\n0.895205 0.104793 0.750001 Mo\n0.931036 0.068962 0.250000 O\n0.068962 0.931036 0.750001 O\n0.584317 0.415681 0.250000 O\n0.415681 0.584318 0.750001 O\n0.221830 0.778169 0.250000 O\n0.778168 0.221830 0.750001 O\n","nsites":8,"nelements":2,"elements":["Mo","O"],"chemical_system":"Mo-O","density":4.728313327622967,"density_atomic":0.07912998335721777,"volume":101.09947785386824,"volume_molar":7.610441079981215,"formula_full":"Mo2 O6","formula_reduced":"MoO3","formula_anonymous":"AB3","energy_above_hull":2.7802141,"spacegroup":63}]}