HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4008",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4006",
"results": [
{
"id": "jvasp-10835",
"created_at": "2022-09-04T14:37:56.514335Z",
"updated_at": "2022-09-04T14:37:56.514351Z",
"structure_string": "Ca2 Cr4 S8\n1.0\n6.446981 0.000000 3.722167\n2.148993 6.078272 3.722167\n-0.000000 -0.000000 7.444332\nCa Cr S\n2 4 8\ndirect\n0.875000 0.874999 0.875001 Ca\n0.125000 0.125000 0.125000 Ca\n0.500001 0.500000 0.500000 Cr\n0.500001 0.500000 0.000001 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.731003 0.731002 0.731005 S\n0.268997 0.268997 0.693010 S\n0.268998 0.693007 0.268998 S\n0.693009 0.268997 0.268998 S\n0.731002 0.306991 0.731003 S\n0.306991 0.731002 0.731003 S\n0.268997 0.268997 0.268998 S\n0.731003 0.731002 0.306991 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"S"
],
"chemical_system": "Ca-Cr-S",
"density": 3.100363702539926,
"density_atomic": 0.047991661010199055,
"volume": 291.7173464161776,
"volume_molar": 12.548306587513592,
"formula_full": "Ca2 Cr4 S8",
"formula_reduced": "Ca(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5693064600000004,
"spacegroup": 227
},
{
"id": "jvasp-79512",
"created_at": "2022-09-04T14:37:14.772714Z",
"updated_at": "2022-09-04T14:37:14.772735Z",
"structure_string": "Sc4\n1.0\n-0.000000 0.000000 3.524673\n5.227455 0.000000 -0.000000\n0.000000 5.227455 0.000000\nSc\n4\ndirect\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.499878 0.000000 0.500000 Sc\n0.500121 0.500000 0.000000 Sc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.1002481973395994,
"density_atomic": 0.04152986828910806,
"volume": 96.31622166856403,
"volume_molar": 14.500746108986366,
"formula_full": "Sc4",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy_above_hull": 0.1085199999999999,
"spacegroup": 229
},
{
"id": "jvasp-120297",
"created_at": "2022-09-04T14:38:47.276052Z",
"updated_at": "2022-09-04T14:38:47.276080Z",
"structure_string": "Li1 Zn1 O1\n1.0\n2.799520 0.000000 -0.000000\n-0.000000 2.799520 0.000000\n-0.000000 -0.000000 6.038139\nLi Zn O\n1 1 1\ndirect\n0.000000 0.000000 0.282223 Li\n0.000000 0.000000 0.700583 Zn\n0.000000 0.000000 0.003652 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Zn",
"O"
],
"chemical_system": "Li-O-Zn",
"density": 3.1001481368287114,
"density_atomic": 0.06339441511754249,
"volume": 47.32278063355522,
"volume_molar": 9.499481537662383,
"formula_full": "Li1 Zn1 O1",
"formula_reduced": "LiZnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3053079666666669,
"spacegroup": 99
},
{
"id": "jvasp-78332",
"created_at": "2022-09-04T14:37:17.993742Z",
"updated_at": "2022-09-04T14:37:17.993767Z",
"structure_string": "Sc1\n1.0\n0.000000 -0.000000 3.528332\n-1.847295 1.847295 1.764166\n-1.847295 -1.847295 1.764166\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.100016184597574,
"density_atomic": 0.041526760325485676,
"volume": 24.080857552142902,
"volume_molar": 14.50183138005136,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy_above_hull": 0.1093399999999999,
"spacegroup": 229
},
{
"id": "jvasp-10811",
"created_at": "2022-09-04T14:37:10.720776Z",
"updated_at": "2022-09-04T14:37:10.720801Z",
"structure_string": "Ca2 Cr4 S8\n1.0\n6.586364 0.000000 -3.457926\n-1.815455 6.331219 -3.457926\n-0.299624 -0.397615 7.430839\nCa Cr S\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Ca\n0.625000 0.375000 0.249999 Ca\n0.000000 -0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.769276 0.806995 0.538552 S\n0.768443 0.230723 0.961446 S\n0.193006 0.230723 0.961447 S\n0.230724 0.193005 0.461447 S\n0.230725 0.768442 0.461447 S\n0.231558 0.769276 0.038553 S\n0.769276 0.231557 0.538552 S\n0.806995 0.769276 0.038552 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"S"
],
"chemical_system": "Ca-Cr-S",
"density": 3.0999915991577653,
"density_atomic": 0.04798590108617376,
"volume": 291.75236232114514,
"volume_molar": 12.549812806860402,
"formula_full": "Ca2 Cr4 S8",
"formula_reduced": "Ca(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.569307888571429,
"spacegroup": 227
},
{
"id": "jvasp-8525",
"created_at": "2022-09-04T14:37:01.255563Z",
"updated_at": "2022-09-04T14:37:01.255588Z",
"structure_string": "Sr2 Al4\n1.0\n4.415863 0.000000 1.899773\n2.187895 5.617152 0.996460\n-0.012028 0.001272 6.109998\nSr Al\n2 4\ndirect\n0.450423 0.299576 0.799577 Sr\n0.549575 0.700423 0.200424 Sr\n0.161016 0.272586 0.405382 Al\n0.838982 0.727414 0.594619 Al\n0.838983 0.094618 0.227414 Al\n0.161015 0.905381 0.772587 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Al"
],
"chemical_system": "Al-Sr",
"density": 3.0999225186182695,
"density_atomic": 0.039555934496946214,
"volume": 151.68394012946933,
"volume_molar": 15.224367308184616,
"formula_full": "Sr2 Al4",
"formula_reduced": "SrAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7079739700000001,
"spacegroup": 74
},
{
"id": "jvasp-46719",
"created_at": "2022-09-04T14:38:19.697134Z",
"updated_at": "2022-09-04T14:38:19.697159Z",
"structure_string": "Li4 V2 Si2 O8\n1.0\n0.000000 4.664912 0.006980\n5.800047 0.000000 0.000000\n0.000000 -4.635767 -6.219933\nLi V Si O\n4 2 2 8\ndirect\n0.511059 0.849421 0.998537 Li\n0.770818 0.694056 0.758475 Li\n0.511060 0.150579 0.498538 Li\n0.770818 0.305944 0.258476 Li\n0.278561 0.357455 0.738555 V\n0.278562 0.642546 0.238555 V\n0.991780 0.162980 0.000168 Si\n0.991779 0.837021 0.500168 Si\n0.861013 0.318213 0.781286 O\n0.314773 0.699943 0.720784 O\n0.636615 0.841386 0.499035 O\n0.103974 0.105918 0.501854 O\n0.861013 0.681787 0.281286 O\n0.314773 0.300057 0.220785 O\n0.103975 0.894082 0.001854 O\n0.636616 0.158614 -0.000964 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.0998752740172475,
"density_atomic": 0.0951796049115928,
"volume": 168.10324034084337,
"volume_molar": 6.327133597154182,
"formula_full": "Li4 V2 Si2 O8",
"formula_reduced": "Li2VSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4011321,
"spacegroup": 7
},
{
"id": "jvasp-29847",
"created_at": "2022-09-04T14:37:02.153356Z",
"updated_at": "2022-09-04T14:37:02.153367Z",
"structure_string": "Ti6 H4 O14\n1.0\n7.930088 1.878857 -1.642714\n-7.930088 1.878857 1.642714\n-0.043171 0.000000 9.271685\nTi H O\n6 4 14\ndirect\n0.768831 0.231170 0.785133 Ti\n0.232464 0.767538 0.212404 Ti\n0.824183 0.175818 0.486635 Ti\n0.167426 0.832575 0.522295 Ti\n0.880953 0.119048 0.168319 Ti\n0.117018 0.882983 0.826571 Ti\n0.072332 0.927670 0.242424 H\n0.980838 0.019163 0.469668 H\n-0.000174 0.000174 0.035203 H\n0.954548 0.045454 0.792642 H\n0.291748 0.708254 0.454520 O\n0.703744 0.296257 0.541906 O\n0.352032 0.647969 0.181894 O\n0.649294 0.350707 0.817379 O\n0.010938 0.989063 0.863615 O\n0.990820 0.009182 0.140704 O\n0.173165 0.826836 0.030752 O\n0.923268 0.076733 0.403821 O\n0.132883 0.867119 0.310888 O\n0.862951 0.137050 0.683694 O\n0.763407 0.236594 0.253479 O\n0.829631 0.170371 0.968635 O\n0.076298 0.923704 0.599458 O\n0.237990 0.762012 0.742676 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"H",
"O"
],
"chemical_system": "H-O-Ti",
"density": 3.0995955219965396,
"density_atomic": 0.08695007034116245,
"volume": 276.0204782564543,
"volume_molar": 6.925975719595363,
"formula_full": "Ti6 H4 O14",
"formula_reduced": "Ti3H2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 3.186217458333334,
"spacegroup": 8
},
{
"id": "jvasp-36677",
"created_at": "2022-09-04T14:38:03.135646Z",
"updated_at": "2022-09-04T14:38:03.135666Z",
"structure_string": "Ti1 P1 N3\n1.0\n2.839972 0.000000 0.000000\n0.000000 4.523944 -2.202246\n0.000000 0.016979 5.031468\nTi P N\n1 1 3\ndirect\n0.000000 0.578372 0.421627 Ti\n0.500000 0.925496 0.074502 P\n0.500000 0.772902 0.718678 N\n0.000000 0.813856 0.186142 N\n0.500000 0.281321 0.227097 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"P",
"N"
],
"chemical_system": "N-P-Ti",
"density": 3.0995307437256474,
"density_atomic": 0.07722024370103302,
"volume": 64.74986040393851,
"volume_molar": 7.798655470857364,
"formula_full": "Ti1 P1 N3",
"formula_reduced": "TiPN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.569234716666666,
"spacegroup": 38
},
{
"id": "jvasp-12936",
"created_at": "2022-09-04T14:37:16.553969Z",
"updated_at": "2022-09-04T14:37:16.553985Z",
"structure_string": "Na4 Li4 Se4\n1.0\n4.238755 -0.000000 0.000000\n-0.000000 7.147529 0.000000\n0.000000 0.000000 7.702213\nNa Li Se\n4 4 4\ndirect\n0.749999 0.485616 0.682608 Na\n0.250000 0.514384 0.317392 Na\n0.749999 0.985616 0.817392 Na\n0.250000 0.014384 0.182608 Na\n0.749999 0.357036 0.071384 Li\n0.250000 0.642964 0.928616 Li\n0.749999 0.857036 0.428616 Li\n0.250000 0.142964 0.571384 Li\n0.749999 0.721775 0.107564 Se\n0.250000 0.278225 0.892436 Se\n0.749999 0.221775 0.392436 Se\n0.250000 0.778225 0.607563 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Li",
"Se"
],
"chemical_system": "Li-Na-Se",
"density": 3.099491066700475,
"density_atomic": 0.05142466607014286,
"volume": 233.3510534347873,
"volume_molar": 11.710607418988088,
"formula_full": "Na4 Li4 Se4",
"formula_reduced": "NaLiSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-71330",
"created_at": "2022-09-04T14:35:56.253333Z",
"updated_at": "2022-09-04T14:35:56.253356Z",
"structure_string": "Sr2 Sc1 Be1\n1.0\n3.587006 0.000000 -0.000000\n0.000000 3.587006 0.000000\n-0.000000 0.000000 9.544258\nSr Sc Be\n2 1 1\ndirect\n0.000000 0.000000 0.955814 Sr\n0.500001 0.500001 0.326846 Sr\n0.500001 0.500001 0.666104 Sc\n0.000000 0.000000 0.551236 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Sc",
"Be"
],
"chemical_system": "Be-Sc-Sr",
"density": 3.0993646140965208,
"density_atomic": 0.032572689128687556,
"volume": 122.80226493418695,
"volume_molar": 18.48831312701215,
"formula_full": "Sr2 Sc1 Be1",
"formula_reduced": "Sr2ScBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8862959925,
"spacegroup": 99
},
{
"id": "jvasp-33805",
"created_at": "2022-09-04T14:38:07.822953Z",
"updated_at": "2022-09-04T14:38:07.822978Z",
"structure_string": "In2 Cl6\n1.0\n8.904165 -0.000200 -0.000409\n-4.452258 7.711784 0.000579\n-0.000157 0.000163 3.451565\nIn Cl\n2 6\ndirect\n0.666662 0.333325 0.250003 In\n0.333337 0.666673 0.749999 In\n0.791324 0.208682 0.749996 Cl\n0.417344 0.208673 0.750001 Cl\n0.791315 0.582624 0.750010 Cl\n0.208675 0.791316 0.250006 Cl\n0.582656 0.791325 0.250005 Cl\n0.208685 0.417374 0.249994 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Cl"
],
"chemical_system": "Cl-In",
"density": 3.0992783139094864,
"density_atomic": 0.033754486709248015,
"volume": 237.0055296325442,
"volume_molar": 17.841008254319153,
"formula_full": "In2 Cl6",
"formula_reduced": "InCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062970337499999,
"spacegroup": 194
}
]
}