{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4385","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4383","results":[{"id":"jvasp-113564","created_at":"2022-09-04T14:38:50.106649Z","updated_at":"2022-09-04T14:38:50.106678Z","structure_string":"Ca1 Ti1 S1\n1.0\n3.328098 0.000000 0.000000\n-0.000000 3.328098 0.000000\n0.000000 -0.000000 7.923579\nCa Ti S\n1 1 1\ndirect\n0.000000 0.000000 0.322839 Ca\n0.000000 0.000000 0.724982 Ti\n0.000000 0.000000 -0.005310 S\n","nsites":3,"nelements":3,"elements":["Ca","Ti","S"],"chemical_system":"Ca-S-Ti","density":2.27066428270605,"density_atomic":0.034182801267942174,"volume":87.7634333267328,"volume_molar":17.617458302482,"formula_full":"Ca1 Ti1 S1","formula_reduced":"CaTiS","formula_anonymous":"ABC","energy_above_hull":1.635492917777778,"spacegroup":99},{"id":"jvasp-71505","created_at":"2022-09-04T14:35:44.968832Z","updated_at":"2022-09-04T14:35:44.968856Z","structure_string":"Mg1 Be2 P1\n1.0\n3.121403 0.000000 -0.000000\n0.000000 3.121403 -0.000000\n-0.000000 -0.000000 5.502015\nMg Be P\n1 2 1\ndirect\n0.000000 0.000000 0.493816 Mg\n0.000000 0.000000 0.991747 Be\n0.500000 0.500000 0.194970 Be\n0.500000 0.500000 0.819469 P\n","nsites":4,"nelements":3,"elements":["Mg","Be","P"],"chemical_system":"Be-Mg-P","density":2.2706496817580315,"density_atomic":0.07461712890618921,"volume":53.60699424697665,"volume_molar":8.07072162689509,"formula_full":"Mg1 Be2 P1","formula_reduced":"MgBe2P","formula_anonymous":"ABC2","energy_above_hull":1.4993391875,"spacegroup":99},{"id":"jvasp-38180","created_at":"2022-09-04T14:37:58.309637Z","updated_at":"2022-09-04T14:37:58.309667Z","structure_string":"Rb3 Y1\n1.0\n0.000000 5.016818 5.016818\n5.016818 -0.000000 5.016818\n5.016818 5.016818 -0.000000\nRb Y\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Y\n","nsites":4,"nelements":2,"elements":["Rb","Y"],"chemical_system":"Rb-Y","density":2.2706085875220476,"density_atomic":0.01583962726703437,"volume":252.53119486749856,"volume_molar":38.01946004457665,"formula_full":"Rb3 Y1","formula_reduced":"Rb3Y","formula_anonymous":"AB3","energy_above_hull":0.1701188624999999,"spacegroup":225},{"id":"jvasp-78860","created_at":"2022-09-04T14:37:11.074234Z","updated_at":"2022-09-04T14:37:11.074263Z","structure_string":"Li1 O2\n1.0\n2.490606 -0.356746 2.700856\n0.814333 2.380600 2.700856\n-0.582567 -0.356747 3.627446\nLi O\n1 2\ndirect\n0.500001 0.500000 0.500001 Li\n0.274383 0.274379 0.274381 O\n0.725622 0.725617 0.725623 O\n","nsites":3,"nelements":2,"elements":["Li","O"],"chemical_system":"Li-O","density":2.27011699720566,"density_atomic":0.10532383913295963,"volume":28.483580020405768,"volume_molar":5.71773760772024,"formula_full":"Li1 O2","formula_reduced":"LiO2","formula_anonymous":"AB2","energy_above_hull":1.5475523333333334,"spacegroup":166},{"id":"jvasp-106538","created_at":"2022-09-04T14:37:01.801435Z","updated_at":"2022-09-04T14:37:01.801463Z","structure_string":"K1 Sr3\n1.0\n6.044813 -0.000000 0.000000\n0.000000 6.044813 0.000000\n-0.000000 -0.000000 6.044813\nK Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n","nsites":4,"nelements":2,"elements":["K","Sr"],"chemical_system":"K-Sr","density":2.270112909545212,"density_atomic":0.018109705197172983,"volume":220.87604168313132,"volume_molar":33.253665338186096,"formula_full":"K1 Sr3","formula_reduced":"KSr3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-110670","created_at":"2022-09-04T14:38:37.450779Z","updated_at":"2022-09-04T14:38:37.450806Z","structure_string":"Na3 Pr1 Cl6\n1.0\n6.573416 -0.000000 3.795163\n2.191139 6.197476 3.795163\n-0.000000 -0.000000 7.590327\nNa Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Pr\n0.746612 0.253389 0.253388 Cl\n0.253389 0.253389 0.746611 Cl\n0.253389 0.746612 0.746611 Cl\n0.253389 0.746612 0.253388 Cl\n0.746612 0.253389 0.746611 Cl\n0.746612 0.746612 0.253388 Cl\n","nsites":10,"nelements":3,"elements":["Na","Pr","Cl"],"chemical_system":"Cl-Na-Pr","density":2.2693785784520464,"density_atomic":0.032339517990804104,"volume":309.2192036641841,"volume_molar":18.621615701608246,"formula_full":"Na3 Pr1 Cl6","formula_reduced":"Na3PrCl6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-92912","created_at":"2022-09-04T14:36:16.535595Z","updated_at":"2022-09-04T14:36:16.535620Z","structure_string":"Mg6 Cr1 C1\n1.0\n6.882224 1.642783 0.000000\n-2.018420 6.781572 0.000000\n0.000000 0.000000 3.071884\nMg Cr C\n6 1 1\ndirect\n0.223005 0.965407 0.250000 Mg\n0.534592 0.276995 0.250000 Mg\n0.656914 0.843086 0.250000 Mg\n0.353532 0.611418 0.749999 Mg\n0.888581 0.146467 0.749999 Mg\n0.917327 0.582672 0.749999 Mg\n0.159576 0.340424 0.250000 Cr\n0.266473 0.233527 0.749999 C\n","nsites":8,"nelements":3,"elements":["Mg","Cr","C"],"chemical_system":"C-Cr-Mg","density":2.2691285750500865,"density_atomic":0.052097674711822445,"volume":153.55771719662897,"volume_molar":11.559327346779654,"formula_full":"Mg6 Cr1 C1","formula_reduced":"Mg6CrC","formula_anonymous":"ABC6","energy_above_hull":0.8573977125,"spacegroup":38},{"id":"jvasp-70887","created_at":"2022-09-04T14:35:50.029825Z","updated_at":"2022-09-04T14:35:50.029837Z","structure_string":"Ca1 Be2 Si1\n1.0\n4.022049 0.000000 0.000000\n0.000000 4.022049 -0.000000\n0.000000 0.000000 3.898972\nCa Be Si\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Si\n","nsites":4,"nelements":3,"elements":["Ca","Be","Si"],"chemical_system":"Be-Ca-Si","density":2.2690830117019933,"density_atomic":0.06341838241781404,"volume":63.07319498701706,"volume_molar":9.495891459868579,"formula_full":"Ca1 Be2 Si1","formula_reduced":"CaBe2Si","formula_anonymous":"ABC2","energy_above_hull":1.6817078049999998,"spacegroup":123},{"id":"jvasp-118598","created_at":"2022-09-04T14:38:48.665794Z","updated_at":"2022-09-04T14:38:48.665819Z","structure_string":"Li1 Al1 O1\n1.0\n-0.000000 2.633779 2.633779\n2.633779 -0.000000 2.633779\n2.633779 2.633779 0.000000\nLi Al O\n1 1 1\ndirect\n0.499999 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 O\n","nsites":3,"nelements":3,"elements":["Li","Al","O"],"chemical_system":"Al-Li-O","density":2.2686763926070457,"density_atomic":0.0821019112820874,"volume":36.539953250205585,"volume_molar":7.334958061218585,"formula_full":"Li1 Al1 O1","formula_reduced":"LiAlO","formula_anonymous":"ABC","energy_above_hull":1.110878766666667,"spacegroup":216},{"id":"jvasp-88250","created_at":"2022-09-04T14:35:48.576742Z","updated_at":"2022-09-04T14:35:48.576760Z","structure_string":"Li3 Al3 Si3 O12\n1.0\n5.281927 0.000000 -0.000000\n-2.640964 4.574283 0.000000\n0.000000 0.000000 11.454413\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.500000 0.500000 0.166667 Al\n0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.666667 Si\n0.000000 0.500000 0.333333 Si\n0.500000 -0.000000 0.000000 Si\n0.204870 0.398237 0.744446 O\n0.806632 0.204869 0.411114 O\n0.398238 0.193368 0.077780 O\n0.806632 0.601762 0.255553 O\n0.193369 0.795130 0.411114 O\n0.795131 0.193368 0.922220 O\n0.601763 0.795130 0.588886 O\n0.193368 0.398237 0.255553 O\n0.204870 0.806631 0.922220 O\n0.398238 0.204869 0.588886 O\n0.795131 0.601762 0.744446 O\n0.601763 0.806631 0.077780 O\n","nsites":21,"nelements":4,"elements":["Li","Al","Si","O"],"chemical_system":"Al-Li-O-Si","density":2.2681515508483456,"density_atomic":0.07588064821933242,"volume":276.7504033347167,"volume_molar":7.936332782230655,"formula_full":"Li3 Al3 Si3 O12","formula_reduced":"LiAlSiO4","formula_anonymous":"ABCD4","energy_above_hull":2.045510771428572,"spacegroup":181},{"id":"jvasp-101974","created_at":"2022-09-04T14:37:56.116145Z","updated_at":"2022-09-04T14:37:56.116165Z","structure_string":"Sn2 H24 C12 F4\n1.0\n4.210319 -0.131787 -0.002001\n-2.111169 4.316970 -0.001730\n0.008685 0.009265 19.706980\nSn H C F\n2 24 12 4\ndirect\n0.094879 0.017716 0.526459 Sn\n0.514091 0.913513 0.026446 Sn\n0.165281 0.682063 0.910619 H\n0.481120 0.540567 0.926554 H\n0.988156 0.079062 0.891264 H\n0.665582 0.201176 0.870212 H\n0.620767 0.852205 0.391251 H\n0.443647 0.249178 0.410651 H\n0.127806 0.390662 0.426599 H\n0.213744 0.167646 0.283924 H\n0.892240 0.290821 0.305662 H\n0.716715 0.640432 0.247247 H\n0.395216 0.763618 0.268982 H\n-0.056680 0.730057 0.370201 H\n0.395227 0.763600 0.783898 H\n0.716746 0.640449 0.805639 H\n0.620803 0.852189 0.661647 H\n-0.056615 0.730079 0.682700 H\n0.127831 0.390671 0.626347 H\n0.988219 0.079056 0.161660 H\n0.443680 0.249190 0.642288 H\n0.665672 0.201214 0.182707 H\n0.165336 0.682102 0.142256 H\n0.481164 0.540600 0.126313 H\n0.892226 0.290823 0.747268 H\n0.213751 0.167679 0.769010 H\n0.935310 0.080886 0.302240 C\n0.709672 0.991925 0.873268 C\n0.161819 0.177346 0.423408 C\n0.899255 0.939320 0.373270 C\n0.447110 0.753886 0.923384 C\n0.673655 0.850374 0.250670 C\n0.709726 0.991944 0.179638 C\n0.899293 0.939332 0.679641 C\n0.935319 0.080897 0.750681 C\n0.447162 0.753921 0.129499 C\n0.161850 0.177358 0.629521 C\n0.673654 0.850374 0.802228 C\n0.081940 0.030782 0.026445 F\n0.527028 0.900453 0.526442 F\n0.830239 0.538261 0.526464 F\n0.778751 0.392977 0.026446 F\n","nsites":42,"nelements":4,"elements":["Sn","H","C","F"],"chemical_system":"C-F-H-Sn","density":2.2679846088910733,"density_atomic":0.11907875446884729,"volume":352.7077536823565,"volume_molar":5.05727557099657,"formula_full":"Sn2 H24 C12 F4","formula_reduced":"SnH12(C3F)2","formula_anonymous":"AB2C6D12","energy_above_hull":4.036130107857144,"spacegroup":11},{"id":"jvasp-91879","created_at":"2022-09-04T14:36:06.436307Z","updated_at":"2022-09-04T14:36:06.436326Z","structure_string":"Mg7 Zn1\n1.0\n6.266486 -0.000000 0.000000\n-3.133243 5.426936 -0.000000\n-0.000000 -0.000000 5.071122\nMg Zn\n7 1\ndirect\n0.165826 0.832913 0.250000 Mg\n0.667089 0.334175 0.250000 Mg\n0.667089 0.832913 0.250000 Mg\n0.330350 0.169651 0.750000 Mg\n0.330350 0.660700 0.750000 Mg\n0.839301 0.169651 0.750000 Mg\n0.833334 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Zn\n","nsites":8,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":2.2679752499980563,"density_atomic":0.0463881608545475,"volume":172.45779639948256,"volume_molar":12.982064063463813,"formula_full":"Mg7 Zn1","formula_reduced":"Mg7Zn","formula_anonymous":"AB7","energy_above_hull":0.0,"spacegroup":187}]}