{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3518","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3516","results":[{"id":"jvasp-70770","created_at":"2022-09-04T14:36:18.274146Z","updated_at":"2022-09-04T14:36:18.274163Z","structure_string":"Be1 In4 Re1\n1.0\n0.000000 3.995009 3.995009\n3.995009 0.000000 3.995009\n3.995009 3.995009 -0.000000\nBe In Re\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125638 0.624787 0.624787 In\n0.624787 0.624787 0.624787 In\n0.624787 0.125638 0.624787 In\n0.624787 0.624787 0.125638 In\n0.250000 0.250000 0.250000 Re\n","nsites":6,"nelements":3,"elements":["Be","In","Re"],"chemical_system":"Be-In-Re","density":8.522551128863345,"density_atomic":0.04705090362856724,"volume":127.52146159329158,"volume_molar":12.799203193928928,"formula_full":"Be1 In4 Re1","formula_reduced":"BeIn4Re","formula_anonymous":"ABC4","energy_above_hull":1.4532956633333332,"spacegroup":216},{"id":"jvasp-69275","created_at":"2022-09-04T14:36:18.269263Z","updated_at":"2022-09-04T14:36:18.269287Z","structure_string":"Ba1 Si2 Br1\n1.0\n4.260626 0.000000 -0.000000\n0.000000 4.260626 0.000000\n-0.000000 -0.000000 6.501962\nBa Si Br\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.500001 0.000000 Si\n0.500001 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Br\n","nsites":4,"nelements":3,"elements":["Ba","Si","Br"],"chemical_system":"Ba-Br-Si","density":3.8464450377907893,"density_atomic":0.03388977908162278,"volume":118.0296864835291,"volume_molar":17.769784646562044,"formula_full":"Ba1 Si2 Br1","formula_reduced":"BaSi2Br","formula_anonymous":"ABC2","energy_above_hull":1.43560931875,"spacegroup":123},{"id":"jvasp-42846","created_at":"2022-09-04T14:36:18.268690Z","updated_at":"2022-09-04T14:36:18.268706Z","structure_string":"Pr1 Y1 Mg2\n1.0\n-0.000000 3.834946 3.834946\n3.834946 -0.000000 3.834946\n3.834946 3.834946 -0.000000\nPr Y Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n","nsites":4,"nelements":3,"elements":["Pr","Y","Mg"],"chemical_system":"Mg-Pr-Y","density":4.0987103775408,"density_atomic":0.03546110272524174,"volume":112.79965067619683,"volume_molar":16.982384351272163,"formula_full":"Pr1 Y1 Mg2","formula_reduced":"PrYMg2","formula_anonymous":"ABC2","energy_above_hull":0.69652335,"spacegroup":225},{"id":"jvasp-90853","created_at":"2022-09-04T14:36:18.268302Z","updated_at":"2022-09-04T14:36:18.268325Z","structure_string":"Tb4 Pd4\n1.0\n0.000000 4.580386 0.000000\n0.000000 -0.000000 5.568000\n6.997422 0.000000 0.000000\nTb Pd\n4 4\ndirect\n0.250000 0.355670 0.683150 Tb\n0.250000 0.144330 0.183150 Tb\n0.750001 0.644330 0.316850 Tb\n0.750001 0.855670 0.816849 Tb\n0.250000 0.843754 0.542849 Pd\n0.250000 0.656246 0.042849 Pd\n0.750001 0.156246 0.457151 Pd\n0.750001 0.343754 0.957151 Pd\n","nsites":8,"nelements":2,"elements":["Tb","Pd"],"chemical_system":"Pd-Tb","density":9.87600267353448,"density_atomic":0.044828129278854253,"volume":178.45937648291866,"volume_molar":13.433843564024624,"formula_full":"Tb4 Pd4","formula_reduced":"TbPd","formula_anonymous":"AB","energy_above_hull":0.55125205,"spacegroup":62},{"id":"jvasp-63377","created_at":"2022-09-04T14:36:18.264750Z","updated_at":"2022-09-04T14:36:18.264775Z","structure_string":"B4 N4\n1.0\n2.514390 3.275901 0.963900\n-2.514390 3.275901 0.963900\n0.000000 2.283948 4.336399\nB N\n4 4\ndirect\n0.026022 0.276021 0.447962 B\n0.723979 0.973977 0.052038 B\n0.973977 0.723979 0.552038 B\n0.276021 0.026023 0.947962 B\n0.053399 0.303346 0.749950 N\n0.696654 0.946601 0.750051 N\n0.946601 0.696654 0.250051 N\n0.303346 0.053399 0.249949 N\n","nsites":8,"nelements":2,"elements":["B","N"],"chemical_system":"B-N","density":2.7307238714576854,"density_atomic":0.13252479912557003,"volume":60.36606018485515,"volume_molar":4.544161394497867,"formula_full":"B4 N4","formula_reduced":"BN","formula_anonymous":"AB","energy_above_hull":2.7689079166666666,"spacegroup":70},{"id":"jvasp-65668","created_at":"2022-09-04T14:36:18.261327Z","updated_at":"2022-09-04T14:36:18.261360Z","structure_string":"Ba1 Ir1 Pt2\n1.0\n4.396082 0.000000 0.000000\n0.000000 4.396082 -0.000000\n0.000000 -0.000000 4.210300\nBa Ir Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n","nsites":4,"nelements":3,"elements":["Ba","Ir","Pt"],"chemical_system":"Ba-Ir-Pt","density":14.688019141978145,"density_atomic":0.049160396819357965,"volume":81.36630822363325,"volume_molar":12.249984031106626,"formula_full":"Ba1 Ir1 Pt2","formula_reduced":"BaIrPt2","formula_anonymous":"ABC2","energy_above_hull":2.4579599675,"spacegroup":123},{"id":"jvasp-65648","created_at":"2022-09-04T14:36:18.258439Z","updated_at":"2022-09-04T14:36:18.258455Z","structure_string":"Ba1 Hf1 Se4\n1.0\n0.000000 4.239827 4.239827\n4.239827 0.000000 4.239827\n4.239827 4.239827 -0.000000\nBa Hf Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hf\n0.118943 0.627020 0.627020 Se\n0.627020 0.627020 0.627020 Se\n0.627020 0.118943 0.627020 Se\n0.627020 0.627020 0.118943 Se\n","nsites":6,"nelements":3,"elements":["Ba","Hf","Se"],"chemical_system":"Ba-Hf-Se","density":6.881070485986578,"density_atomic":0.03936197182370794,"volume":152.4313880125834,"volume_molar":15.299387914232566,"formula_full":"Ba1 Hf1 Se4","formula_reduced":"BaHfSe4","formula_anonymous":"ABC4","energy_above_hull":2.0099904061111107,"spacegroup":216},{"id":"jvasp-5512","created_at":"2022-09-04T14:36:18.250754Z","updated_at":"2022-09-04T14:36:18.250779Z","structure_string":"C4 S12 N16\n1.0\n0.000000 5.402189 0.072317\n8.620240 0.000000 0.000000\n0.000000 -3.153233 -11.570669\nC S N\n4 12 16\ndirect\n0.389799 0.159292 0.715166 C\n0.610202 0.659292 0.784834 C\n0.610201 0.840708 0.284833 C\n0.389799 0.340708 0.215166 C\n0.165609 0.924207 0.165662 S\n0.165610 0.575793 0.665662 S\n0.834391 0.075793 0.834337 S\n0.959115 0.168734 0.379125 S\n0.040885 0.668734 0.120875 S\n0.834391 0.424207 0.334337 S\n0.959116 0.331266 0.879125 S\n0.642373 0.284180 0.505234 S\n0.357627 0.784179 0.994766 S\n0.357627 0.715820 0.494766 S\n0.642373 0.215820 0.005233 S\n0.040885 0.831266 0.620875 S\n0.283082 0.937470 0.054451 N\n0.716918 0.437470 0.445549 N\n0.780621 0.355941 0.965177 N\n0.219380 0.855941 0.534822 N\n0.219380 0.644059 0.034822 N\n0.780620 0.144059 0.465177 N\n0.602200 0.414346 0.217888 N\n0.602200 0.085654 0.717888 N\n0.397801 0.585654 0.782112 N\n0.191999 0.277377 0.206971 N\n0.808001 0.777377 0.293028 N\n0.808001 0.722623 0.793029 N\n0.192000 0.222623 0.706971 N\n0.283082 0.562530 0.554451 N\n0.397800 0.914346 0.282112 N\n0.716919 0.062530 0.945549 N\n","nsites":32,"nelements":3,"elements":["C","S","N"],"chemical_system":"C-N-S","density":2.031925792771084,"density_atomic":0.05960595201154826,"volume":536.8591377216861,"volume_molar":10.103254048913186,"formula_full":"C4 S12 N16","formula_reduced":"CS3N4","formula_anonymous":"AB3C4","energy_above_hull":4.772306625,"spacegroup":14},{"id":"jvasp-91216","created_at":"2022-09-04T14:36:18.248339Z","updated_at":"2022-09-04T14:36:18.248354Z","structure_string":"Sr2 Sn2 O6\n1.0\n4.951354 -0.000000 -2.853460\n-1.644446 4.670299 -2.853460\n0.046168 0.065202 5.802661\nSr Sn O\n2 2 6\ndirect\n0.249999 0.750000 0.500000 Sr\n0.749999 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sn\n0.499999 0.500000 -0.000000 Sn\n0.807164 0.307165 -0.000000 O\n0.692834 0.807165 -0.000001 O\n0.307164 0.192836 -0.000000 O\n0.192835 0.692836 -0.000000 O\n0.250000 0.250000 0.500000 O\n0.749999 0.750000 0.499999 O\n","nsites":10,"nelements":3,"elements":["Sr","Sn","O"],"chemical_system":"O-Sn-Sr","density":6.209478993663923,"density_atomic":0.0735159462439281,"volume":136.0249103890971,"volume_molar":8.19161157229529,"formula_full":"Sr2 Sn2 O6","formula_reduced":"SrSnO3","formula_anonymous":"ABC3","energy_above_hull":1.0551814266666664,"spacegroup":140},{"id":"jvasp-105988","created_at":"2022-09-04T14:36:18.247889Z","updated_at":"2022-09-04T14:36:18.247917Z","structure_string":"Ta4 Se1 S1\n1.0\n3.363743 -0.000000 0.000000\n0.000000 3.363743 -0.000000\n-0.000000 -0.000000 9.769114\nTa Se S\n4 1 1\ndirect\n0.500000 0.500000 0.243521 Ta\n0.000000 0.000000 0.745006 Ta\n0.500000 0.500000 0.918959 Ta\n0.000000 0.000000 0.075207 Ta\n0.000000 0.000000 0.372388 Se\n0.500000 0.500000 0.644916 S\n","nsites":6,"nelements":3,"elements":["Ta","Se","S"],"chemical_system":"S-Se-Ta","density":12.541207124382318,"density_atomic":0.054281327324077096,"volume":110.53524841384326,"volume_molar":11.09431374816218,"formula_full":"Ta4 Se1 S1","formula_reduced":"Ta4SeS","formula_anonymous":"ABC4","energy_above_hull":5.486435027777777,"spacegroup":99},{"id":"jvasp-98386","created_at":"2022-09-04T14:36:18.246953Z","updated_at":"2022-09-04T14:36:18.246988Z","structure_string":"K4 Co2 H24 S4 O28\n1.0\n6.120138 -0.007297 0.000000\n-2.210542 8.661828 0.000000\n0.000000 0.000000 12.016664\nK Co H S O\n4 2 24 4 28\ndirect\n0.344087 0.136242 0.337947 K\n0.655913 0.363758 0.837947 K\n0.655913 0.863758 0.662053 K\n0.344088 0.636242 0.162053 K\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.676679 0.280279 0.585495 H\n0.676679 0.780279 0.914504 H\n0.323322 0.719721 0.414505 H\n0.091005 0.256362 0.122717 H\n0.908995 0.243637 0.622717 H\n0.908996 0.743637 0.877283 H\n0.091005 0.756363 0.377283 H\n0.927407 0.727252 0.101200 H\n0.072594 0.772748 0.601200 H\n0.072594 0.272748 0.898799 H\n-0.000518 0.643561 0.694269 H\n0.000519 0.856439 0.194269 H\n0.323322 0.219721 0.085495 H\n-0.000519 0.143561 0.805731 H\n0.000519 0.356439 0.305731 H\n0.340599 0.896472 0.942132 H\n0.659402 0.603528 0.442132 H\n0.659401 0.103528 0.057868 H\n0.340599 0.396472 0.557868 H\n0.334153 0.028512 0.853210 H\n0.665848 0.471488 0.353211 H\n0.927407 0.227252 0.398800 H\n0.665848 0.971488 0.146789 H\n0.334153 0.528512 0.646789 H\n0.722285 0.413988 0.130358 S\n0.277716 0.086012 0.630357 S\n0.277716 0.586012 0.869642 S\n0.722285 0.913988 0.369642 S\n0.831136 0.827983 0.886055 O\n0.572185 0.410295 0.229241 O\n0.427816 0.089705 0.729241 O\n0.427816 0.589705 0.770758 O\n0.572185 0.910295 0.270759 O\n0.745228 0.560574 0.068410 O\n0.254773 0.939426 0.568410 O\n0.254772 0.439426 0.931590 O\n0.745228 0.060574 0.431590 O\n0.614244 0.282224 0.055880 O\n0.385757 0.217776 0.555880 O\n0.385757 0.717776 0.944120 O\n0.614244 0.782224 0.444120 O\n0.948790 0.397754 0.167878 O\n0.051211 0.102246 0.667877 O\n0.051211 0.602246 0.832122 O\n0.948790 0.897754 0.332122 O\n0.168864 0.172017 0.113945 O\n0.831136 0.327983 0.613945 O\n0.299525 0.496556 0.567829 O\n0.700476 0.003444 0.067829 O\n0.700476 0.503444 0.432171 O\n0.299525 0.996556 0.932171 O\n0.039418 0.326751 0.381534 O\n0.960582 0.173249 0.881534 O\n0.960582 0.673249 0.618466 O\n0.168865 0.672017 0.386055 O\n0.039418 0.826751 0.118466 O\n","nsites":62,"nelements":5,"elements":["K","Co","H","S","O"],"chemical_system":"Co-H-K-O-S","density":2.280774772468555,"density_atomic":0.09735744498770561,"volume":636.8285446257286,"volume_molar":6.185598606003354,"formula_full":"K4 Co2 H24 S4 O28","formula_reduced":"K2CoH12(SO7)2","formula_anonymous":"AB2C2D12E14","energy_above_hull":2.859995351612903,"spacegroup":14},{"id":"jvasp-67931","created_at":"2022-09-04T14:36:18.243793Z","updated_at":"2022-09-04T14:36:18.243818Z","structure_string":"Ti2 Be1 Mo1\n1.0\n-1.908510 1.908510 3.985234\n1.908510 -1.908510 3.985234\n1.908510 1.908510 -3.985234\nTi Be Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.750000 0.500000 Ti\n0.499999 0.499999 0.000000 Be\n0.750000 0.250000 0.500000 Mo\n","nsites":4,"nelements":3,"elements":["Ti","Be","Mo"],"chemical_system":"Be-Mo-Ti","density":5.73936533452227,"density_atomic":0.06889017586572439,"volume":58.063431392547216,"volume_molar":8.741653921363055,"formula_full":"Ti2 Be1 Mo1","formula_reduced":"Ti2BeMo","formula_anonymous":"ABC2","energy_above_hull":3.8680346666666665,"spacegroup":119}]}