{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3466","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3464","results":[{"id":"jvasp-101877","created_at":"2022-09-04T14:36:46.717235Z","updated_at":"2022-09-04T14:36:46.717243Z","structure_string":"Sn1 H12 C7 O4\n1.0\n5.157872 0.017882 0.081255\n-0.744614 6.207067 -0.378830\n0.106525 0.295824 7.022876\nSn H C O\n1 12 7 4\ndirect\n-0.002488 0.667457 0.638762 Sn\n0.996057 0.273634 0.483713 H\n0.143884 0.469705 0.318458 H\n0.080028 0.892031 0.963178 H\n0.767248 0.920780 0.868400 H\n0.055710 0.076451 0.772165 H\n0.327234 0.390856 0.517517 H\n0.347555 0.327153 0.029327 H\n0.623238 0.280836 0.297879 H\n0.835498 0.136507 0.157981 H\n0.488653 0.827522 0.124128 H\n0.263887 0.968309 0.261930 H\n0.465291 0.117066 0.899688 H\n0.471326 0.948216 0.238995 C\n0.630104 0.161887 0.181141 C\n0.525339 0.248838 0.000888 C\n0.717193 0.400653 0.888611 C\n0.136046 0.417814 0.466784 C\n0.975962 0.924537 0.835985 C\n0.571434 0.863438 0.419735 C\n0.435629 0.859684 0.571928 O\n0.629928 0.480670 0.737268 O\n0.954292 0.445538 0.930743 O\n0.803346 0.801312 0.405653 O\n","nsites":24,"nelements":4,"elements":["Sn","H","C","O"],"chemical_system":"C-H-O-Sn","density":2.054164265816732,"density_atomic":0.10645924984502145,"volume":225.4383722874068,"volume_molar":5.656756710916863,"formula_full":"Sn1 H12 C7 O4","formula_reduced":"SnH12C7O4","formula_anonymous":"AB4C7D12","energy_above_hull":4.401464404166667,"spacegroup":1},{"id":"jvasp-57532","created_at":"2022-09-04T14:38:32.211530Z","updated_at":"2022-09-04T14:38:32.211551Z","structure_string":"Na4 Sr1 Si3 O9\n1.0\n6.186034 0.034304 -2.161506\n-3.065092 5.498856 -2.297861\n-0.028873 -0.063238 6.655884\nNa Sr Si O\n4 1 3 9\ndirect\n0.498635 0.498635 -0.002731 Na\n0.531288 0.031288 0.062576 Na\n0.458769 0.457536 0.479190 Na\n0.020421 0.021654 0.479190 Na\n0.984060 0.484060 0.968119 Sr\n0.492936 0.963503 0.531533 Si\n0.959265 0.959264 0.918529 Si\n0.038597 0.568032 0.531534 Si\n0.763287 0.001077 0.720164 O\n0.218431 0.208772 0.061738 O\n0.515908 0.229878 0.642897 O\n0.956877 0.719087 0.720164 O\n0.126990 0.413019 0.642897 O\n0.821582 0.435615 0.249224 O\n0.290002 0.790001 0.580003 O\n0.427643 0.813610 0.249225 O\n0.843307 0.852966 0.061737 O\n","nsites":17,"nelements":4,"elements":["Na","Sr","Si","O"],"chemical_system":"Na-O-Si-Sr","density":3.003871914581009,"density_atomic":0.07540530072748537,"volume":225.44834164163035,"volume_molar":7.986362632202749,"formula_full":"Na4 Sr1 Si3 O9","formula_reduced":"Na4Sr(SiO3)3","formula_anonymous":"AB3C4D9","energy_above_hull":1.883304682941176,"spacegroup":5},{"id":"jvasp-105993","created_at":"2022-09-04T14:35:43.471942Z","updated_at":"2022-09-04T14:35:43.471963Z","structure_string":"Sr4 Se1 S3\n1.0\n7.348625 -0.000226 1.244118\n6.089047 4.114098 1.244118\n-0.000806 -0.000247 7.456796\nSr Se S\n4 1 3\ndirect\n0.625506 0.625505 0.119531 Sr\n0.374496 0.374494 0.880470 Sr\n0.128674 0.128673 0.629110 Sr\n0.871327 0.871325 0.370891 Sr\n0.500001 0.499999 0.500000 Se\n0.248581 0.248581 0.249096 S\n0.000000 0.000000 0.000000 S\n0.751420 0.751418 0.750905 S\n","nsites":8,"nelements":3,"elements":["Sr","Se","S"],"chemical_system":"S-Se-Sr","density":3.871434643283889,"density_atomic":0.03548367117570619,"volume":225.4558148841482,"volume_molar":16.971583154910544,"formula_full":"Sr4 Se1 S3","formula_reduced":"Sr4SeS3","formula_anonymous":"AB3C4","energy_above_hull":0.4120435758333334,"spacegroup":12},{"id":"jvasp-40598","created_at":"2022-09-04T14:37:46.635710Z","updated_at":"2022-09-04T14:37:46.635741Z","structure_string":"Ac2 Cd6\n1.0\n3.594258 -6.225438 -0.000000\n3.594258 6.225438 -0.000000\n0.000000 -0.000000 5.038064\nAc Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Ac\n0.666667 0.333333 0.749999 Ac\n0.701608 0.850804 0.749999 Cd\n0.149196 0.298392 0.749999 Cd\n0.149196 0.850804 0.749999 Cd\n0.298392 0.149196 0.250000 Cd\n0.850804 0.701608 0.250000 Cd\n0.850804 0.149196 0.250000 Cd\n","nsites":8,"nelements":2,"elements":["Ac","Cd"],"chemical_system":"Ac-Cd","density":8.311219263955493,"density_atomic":0.035482740153135496,"volume":225.46173056178316,"volume_molar":16.97202846795315,"formula_full":"Ac2 Cd6","formula_reduced":"AcCd3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-119557","created_at":"2022-09-04T14:38:51.620415Z","updated_at":"2022-09-04T14:38:51.620437Z","structure_string":"Er4 Ga4 Ir4\n1.0\n4.276447 0.000000 0.000000\n0.000000 6.770063 0.000000\n-0.000000 0.000000 7.787739\nEr Ga Ir\n4 4 4\ndirect\n0.250000 0.974526 0.313565 Er\n0.250000 0.474526 0.186435 Er\n0.750001 0.025473 0.686435 Er\n0.750001 0.525473 0.813565 Er\n0.250000 0.344919 0.567994 Ga\n0.250000 0.844919 0.932007 Ga\n0.750001 0.655081 0.432007 Ga\n0.750001 0.155081 0.067994 Ga\n0.250000 0.233419 0.887232 Ir\n0.250000 0.733419 0.612768 Ir\n0.750001 0.766580 0.112768 Ir\n0.750001 0.266580 0.387232 Ir\n","nsites":12,"nelements":3,"elements":["Er","Ga","Ir"],"chemical_system":"Er-Ga-Ir","density":12.643886773860702,"density_atomic":0.05322235088991698,"volume":225.46918351690869,"volume_molar":11.3150596681758,"formula_full":"Er4 Ga4 Ir4","formula_reduced":"ErGaIr","formula_anonymous":"ABC","energy_above_hull":1.3224844749999998,"spacegroup":62},{"id":"jvasp-66425","created_at":"2022-09-04T14:35:59.884375Z","updated_at":"2022-09-04T14:35:59.884401Z","structure_string":"Ba4 Tl1 W1\n1.0\n-0.000000 4.830809 4.830809\n4.830809 0.000000 4.830809\n4.830809 4.830809 0.000000\nBa Tl W\n4 1 1\ndirect\n0.123245 0.625585 0.625585 Ba\n0.625585 0.625585 0.625585 Ba\n0.625585 0.123245 0.625585 Ba\n0.625585 0.625585 0.123245 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 W\n","nsites":6,"nelements":3,"elements":["Ba","Tl","W"],"chemical_system":"Ba-Tl-W","density":6.904707370313211,"density_atomic":0.026611028157676537,"volume":225.47043144851838,"volume_molar":22.630244590015142,"formula_full":"Ba4 Tl1 W1","formula_reduced":"Ba4TlW","formula_anonymous":"ABC4","energy_above_hull":1.3629877466666669,"spacegroup":216},{"id":"jvasp-66168","created_at":"2022-09-04T14:35:48.028941Z","updated_at":"2022-09-04T14:35:48.028956Z","structure_string":"Ba4 Y1 W1\n1.0\n-0.000000 4.830960 4.830960\n4.830960 0.000000 4.830960\n4.830960 4.830960 -0.000000\nBa Y W\n4 1 1\ndirect\n0.128212 0.623929 0.623929 Ba\n0.623929 0.623929 0.623929 Ba\n0.623929 0.128212 0.623929 Ba\n0.623929 0.623929 0.128212 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 W\n","nsites":6,"nelements":3,"elements":["Ba","Y","W"],"chemical_system":"Ba-W-Y","density":6.053674208103721,"density_atomic":0.026608532914709118,"volume":225.49157517373752,"volume_molar":22.63236676483948,"formula_full":"Ba4 Y1 W1","formula_reduced":"Ba4YW","formula_anonymous":"ABC4","energy_above_hull":2.042294888333333,"spacegroup":216},{"id":"jvasp-23450","created_at":"2022-09-04T14:37:40.011876Z","updated_at":"2022-09-04T14:37:40.011904Z","structure_string":"Dy4 Si4 Pt4\n1.0\n4.296784 -0.000000 0.000000\n-0.000000 7.015554 0.000000\n0.000000 0.000000 7.480428\nDy Si Pt\n4 4 4\ndirect\n0.749999 0.503781 0.799732 Dy\n0.250000 0.996218 0.299732 Dy\n0.749999 0.003781 0.700269 Dy\n0.250000 0.496219 0.200269 Dy\n0.250000 0.813270 0.912204 Si\n0.250000 0.313270 0.587797 Si\n0.749999 0.186730 0.087797 Si\n0.749999 0.686729 0.412204 Si\n0.250000 0.701639 0.585370 Pt\n0.250000 0.201639 0.914631 Pt\n0.749999 0.798360 0.085369 Pt\n0.749999 0.298361 0.414631 Pt\n","nsites":12,"nelements":3,"elements":["Dy","Si","Pt"],"chemical_system":"Dy-Pt-Si","density":11.360369114135231,"density_atomic":0.053216867225322095,"volume":225.4924167029896,"volume_molar":11.316225614149822,"formula_full":"Dy4 Si4 Pt4","formula_reduced":"DySiPt","formula_anonymous":"ABC","energy_above_hull":1.7273921666666665,"spacegroup":62},{"id":"jvasp-34384","created_at":"2022-09-04T14:38:29.697236Z","updated_at":"2022-09-04T14:38:29.697265Z","structure_string":"Mg6 B2 H6 O12\n1.0\n4.532031 -7.849707 0.000000\n4.532031 7.849707 -0.000000\n0.000000 -0.000000 3.169322\nMg B H O\n6 2 6 12\ndirect\n0.343295 0.966859 0.250000 Mg\n0.966859 0.623563 0.750000 Mg\n0.033141 0.376437 0.250000 Mg\n0.656705 0.033141 0.750000 Mg\n0.376437 0.343295 0.750000 Mg\n0.623563 0.656705 0.250000 Mg\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.169514 0.002014 0.750000 H\n0.832500 0.830486 0.750000 H\n0.167500 0.169514 0.250000 H\n0.002013 0.832500 0.250000 H\n0.830486 0.997986 0.250000 H\n0.997986 0.167500 0.750000 H\n0.842863 0.444231 0.250000 O\n0.157137 0.555769 0.750000 O\n0.555769 0.398631 0.250000 O\n0.794348 0.708954 0.750000 O\n0.708954 0.914605 0.250000 O\n0.444231 0.601368 0.750000 O\n0.398631 0.842863 0.750000 O\n0.914606 0.205651 0.750000 O\n0.601368 0.157136 0.250000 O\n0.291046 0.085394 0.750000 O\n0.205652 0.291046 0.250000 O\n0.085394 0.794348 0.250000 O\n","nsites":26,"nelements":4,"elements":["Mg","B","H","O"],"chemical_system":"B-H-Mg-O","density":2.6914407053916567,"density_atomic":0.11530036142396,"volume":225.4979921910034,"volume_molar":5.223002500275396,"formula_full":"Mg6 B2 H6 O12","formula_reduced":"Mg3B(HO2)3","formula_anonymous":"AB3C3D6","energy_above_hull":2.1022992871794868,"spacegroup":176},{"id":"jvasp-38203","created_at":"2022-09-04T14:38:11.710872Z","updated_at":"2022-09-04T14:38:11.710901Z","structure_string":"Rb3 Ti1\n1.0\n-3.414873 3.414873 4.834435\n3.414873 -3.414873 4.834435\n3.414873 3.414873 -4.834435\nRb Ti\n3 1\ndirect\n0.749999 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ti\n","nsites":4,"nelements":2,"elements":["Rb","Ti"],"chemical_system":"Rb-Ti","density":2.240546556301995,"density_atomic":0.017738020847307828,"volume":225.504301434345,"volume_molar":33.95046613057739,"formula_full":"Rb3 Ti1","formula_reduced":"Rb3Ti","formula_anonymous":"AB3","energy_above_hull":0.4647445833333333,"spacegroup":225},{"id":"jvasp-55758","created_at":"2022-09-04T14:36:52.001697Z","updated_at":"2022-09-04T14:36:52.001715Z","structure_string":"Co4 Se4 O12\n1.0\n5.062615 -0.000000 0.000000\n-0.000000 5.919114 0.000000\n0.000000 0.000000 7.525417\nCo Se O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.017738 0.983110 0.750000 Se\n0.517737 0.516888 0.250000 Se\n0.482262 0.483111 0.750000 Se\n0.982261 0.016889 0.250000 Se\n0.826141 0.433426 0.750000 O\n0.326142 0.066574 0.250000 O\n0.863377 0.186143 0.073565 O\n0.363377 0.313856 0.926435 O\n0.636622 0.686143 0.426435 O\n0.363377 0.313856 0.573565 O\n0.136622 0.813856 0.926435 O\n0.636622 0.686143 0.073565 O\n0.673857 0.933426 0.750000 O\n0.863377 0.186143 0.426435 O\n0.136622 0.813856 0.573565 O\n0.173858 0.566573 0.250000 O\n","nsites":20,"nelements":3,"elements":["Co","Se","O"],"chemical_system":"Co-O-Se","density":5.4752783077560085,"density_atomic":0.08868860411983033,"volume":225.50811570985252,"volume_molar":6.790208076635496,"formula_full":"Co4 Se4 O12","formula_reduced":"CoSeO3","formula_anonymous":"ABC3","energy_above_hull":2.372084953333333,"spacegroup":62},{"id":"jvasp-22423","created_at":"2022-09-04T14:38:31.429157Z","updated_at":"2022-09-04T14:38:31.429179Z","structure_string":"Dy4 Ge4 Rh4\n1.0\n4.321769 0.000000 0.000000\n0.000000 6.920410 0.000000\n0.000000 0.000000 7.540244\nDy Ge Rh\n4 4 4\ndirect\n0.250000 0.000540 0.804132 Dy\n0.750000 0.999460 0.195868 Dy\n0.250000 0.500540 0.695867 Dy\n0.750000 0.499460 0.304132 Dy\n0.250000 0.288960 0.103047 Ge\n0.750000 0.711040 0.896952 Ge\n0.250000 0.788960 0.396953 Ge\n0.750000 0.211040 0.603047 Ge\n0.750000 0.840612 0.570507 Rh\n0.250000 0.159388 0.429492 Rh\n0.750000 0.340612 0.929492 Rh\n0.250000 0.659388 0.070508 Rh\n","nsites":12,"nelements":3,"elements":["Dy","Ge","Rh"],"chemical_system":"Dy-Ge-Rh","density":9.95647191705724,"density_atomic":0.053211128719263874,"volume":225.51673472875748,"volume_molar":11.317446002267983,"formula_full":"Dy4 Ge4 Rh4","formula_reduced":"DyGeRh","formula_anonymous":"ABC","energy_above_hull":1.1832084833333332,"spacegroup":62}]}