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=energy_above_hull&page=314",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=312",
"results": [
{
"id": "jvasp-19986",
"created_at": "2022-09-04T14:37:50.049801Z",
"updated_at": "2022-09-04T14:37:50.049831Z",
"structure_string": "Ba1 Ag5\n1.0\n2.935027 -5.083615 0.000000\n2.935027 5.083615 -0.000000\n-0.000000 -0.000000 4.608002\nBa Ag\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666667 0.000000 Ag\n0.666667 0.333334 0.000000 Ag\n0.000001 0.500000 0.500000 Ag\n0.500001 0.500001 0.500000 Ag\n0.500000 0.000001 0.500000 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Ag"
],
"chemical_system": "Ag-Ba",
"density": 8.171416149417754,
"density_atomic": 0.04363388096733106,
"volume": 137.5078234386768,
"volume_molar": 13.801524472482317,
"formula_full": "Ba1 Ag5",
"formula_reduced": "BaAg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-107871",
"created_at": "2022-09-04T14:37:49.560279Z",
"updated_at": "2022-09-04T14:37:49.560304Z",
"structure_string": "Rb3 Nd1 Cl6\n1.0\n7.038320 -0.000000 4.063576\n2.346107 6.635792 4.063576\n-0.000000 -0.000000 8.127152\nRb Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.763974 0.236026 0.236027 Cl\n0.236026 0.236026 0.763974 Cl\n0.236027 0.763974 0.763974 Cl\n0.236027 0.763974 0.236026 Cl\n0.763974 0.236026 0.763974 Cl\n0.763974 0.763974 0.236027 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Nd",
"Cl"
],
"chemical_system": "Cl-Nd-Rb",
"density": 2.6832849817432343,
"density_atomic": 0.026345099601371776,
"volume": 379.5772326280864,
"volume_molar": 22.858675241776016,
"formula_full": "Rb3 Nd1 Cl6",
"formula_reduced": "Rb3NdCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-41309",
"created_at": "2022-09-04T14:37:42.079501Z",
"updated_at": "2022-09-04T14:37:42.079521Z",
"structure_string": "Na1 Mg1 Tl2\n1.0\n-0.000000 3.715703 3.715703\n3.715703 0.000000 3.715703\n3.715703 3.715703 0.000000\nNa Mg Tl\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Na\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Tl"
],
"chemical_system": "Mg-Na-Tl",
"density": 7.381071449249449,
"density_atomic": 0.038985850796819585,
"volume": 102.60132633366347,
"volume_molar": 15.446990733600403,
"formula_full": "Na1 Mg1 Tl2",
"formula_reduced": "NaMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107863",
"created_at": "2022-09-04T14:37:49.525835Z",
"updated_at": "2022-09-04T14:37:49.525860Z",
"structure_string": "Rb2 Li1 Lu1 Cl6\n1.0\n6.237490 -0.000000 3.601217\n2.079163 5.880762 3.601217\n-0.000000 -0.000000 7.202433\nRb Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.748438 0.251562 0.251563 Cl\n0.251562 0.251562 0.748438 Cl\n0.251562 0.748438 0.748438 Cl\n0.251562 0.748438 0.251563 Cl\n0.748438 0.251562 0.748438 Cl\n0.748437 0.748438 0.251563 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Lu",
"Cl"
],
"chemical_system": "Cl-Li-Lu-Rb",
"density": 3.5547275419386275,
"density_atomic": 0.03785099559164031,
"volume": 264.19384335054525,
"volume_molar": 15.910125125823734,
"formula_full": "Rb2 Li1 Lu1 Cl6",
"formula_reduced": "Rb2LiLuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-19776",
"created_at": "2022-09-04T14:38:02.696524Z",
"updated_at": "2022-09-04T14:38:02.696549Z",
"structure_string": "Zr1 Hg3\n1.0\n4.441179 -0.000000 -0.000000\n0.000000 4.441179 0.000000\n0.000000 0.000000 4.441179\nZr Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Hg"
],
"chemical_system": "Hg-Zr",
"density": 13.136623078855102,
"density_atomic": 0.04566307547786499,
"volume": 87.59812952018498,
"volume_molar": 13.188206657081631,
"formula_full": "Zr1 Hg3",
"formula_reduced": "ZrHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-25614",
"created_at": "2022-09-04T14:37:49.471076Z",
"updated_at": "2022-09-04T14:37:49.471101Z",
"structure_string": "Cs2 Ni2 F6\n1.0\n3.098113 -5.366088 0.000000\n3.098113 5.366088 -0.000000\n-0.000000 0.000000 5.226567\nCs Ni F\n2 2 6\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.145050 0.290100 0.750000 F\n0.290100 0.145050 0.250000 F\n0.709899 0.854949 0.750000 F\n0.854949 0.145050 0.250000 F\n0.854949 0.709899 0.250000 F\n0.145050 0.854949 0.750000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Ni",
"F"
],
"chemical_system": "Cs-F-Ni",
"density": 4.750816768350899,
"density_atomic": 0.05754378672851858,
"volume": 173.78070802288758,
"volume_molar": 10.465318850862904,
"formula_full": "Cs2 Ni2 F6",
"formula_reduced": "CsNiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-107862",
"created_at": "2022-09-04T14:37:49.447276Z",
"updated_at": "2022-09-04T14:37:49.447296Z",
"structure_string": "Rb2 In1 Sb1 I6\n1.0\n7.561119 -0.000000 4.365414\n2.520373 7.128692 4.365414\n-0.000000 -0.000000 8.730829\nRb In Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.754721 0.245279 0.245279 I\n0.245279 0.245279 0.754721 I\n0.245279 0.754721 0.754721 I\n0.245279 0.754721 0.245279 I\n0.754721 0.245279 0.754721 I\n0.754721 0.754721 0.245279 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Sb",
"I"
],
"chemical_system": "I-In-Rb-Sb",
"density": 4.124678157644325,
"density_atomic": 0.0212494940192209,
"volume": 470.5994406716064,
"volume_molar": 28.340160733016827,
"formula_full": "Rb2 In1 Sb1 I6",
"formula_reduced": "Rb2InSbI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21127",
"created_at": "2022-09-04T14:37:41.914960Z",
"updated_at": "2022-09-04T14:37:41.914978Z",
"structure_string": "K1 Rb2 Ti1 F6\n1.0\n5.489777 0.000000 3.169524\n1.829926 5.175812 3.169524\n-0.000000 0.000000 6.339049\nK Rb Ti F\n1 2 1 6\ndirect\n0.500001 0.500000 0.499999 K\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ti\n0.221292 0.778708 0.778708 F\n0.221292 0.778708 0.221290 F\n0.778709 0.221291 0.778708 F\n0.221292 0.221291 0.778708 F\n0.778709 0.221291 0.221290 F\n0.778710 0.778708 0.221290 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Ti",
"F"
],
"chemical_system": "F-K-Rb-Ti",
"density": 3.4285290466623857,
"density_atomic": 0.055519135456831833,
"volume": 180.11807852763425,
"volume_molar": 10.846964223141471,
"formula_full": "K1 Rb2 Ti1 F6",
"formula_reduced": "KRb2TiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39749",
"created_at": "2022-09-04T14:37:49.410547Z",
"updated_at": "2022-09-04T14:37:49.410570Z",
"structure_string": "Yb2 Bi1 Au1\n1.0\n-0.000000 3.733435 3.733435\n3.733435 0.000000 3.733435\n3.733435 3.733435 0.000000\nYb Bi Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.749999 0.749999 0.749999 Bi\n0.250001 0.250001 0.250001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Yb",
"density": 11.998493858649944,
"density_atomic": 0.03843299345811406,
"volume": 104.07724301671618,
"volume_molar": 15.669195183984797,
"formula_full": "Yb2 Bi1 Au1",
"formula_reduced": "Yb2BiAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-16620",
"created_at": "2022-09-04T14:37:49.408127Z",
"updated_at": "2022-09-04T14:37:49.408154Z",
"structure_string": "Sm1 Tl3\n1.0\n4.783122 0.000000 -0.000000\n-0.000000 4.783122 -0.000000\n0.000000 -0.000000 4.783122\nSm Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Tl"
],
"chemical_system": "Sm-Tl",
"density": 11.585889851711498,
"density_atomic": 0.036553217995456945,
"volume": 109.4294899151463,
"volume_molar": 16.47499478910029,
"formula_full": "Sm1 Tl3",
"formula_reduced": "SmTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-37928",
"created_at": "2022-09-04T14:38:02.847270Z",
"updated_at": "2022-09-04T14:38:02.847294Z",
"structure_string": "Ca1 Tl2 Cd1\n1.0\n-0.000000 3.769869 3.769869\n3.769869 -0.000000 3.769869\n3.769869 3.769869 -0.000000\nCa Tl Cd\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.750001 0.750001 0.750001 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Cd"
],
"chemical_system": "Ca-Cd-Tl",
"density": 8.697631665161987,
"density_atomic": 0.0373294179581207,
"volume": 107.15409504877732,
"volume_molar": 16.132426084853904,
"formula_full": "Ca1 Tl2 Cd1",
"formula_reduced": "CaTl2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39702",
"created_at": "2022-09-04T14:37:41.975322Z",
"updated_at": "2022-09-04T14:37:41.975344Z",
"structure_string": "Li1 Pr1 Hg2\n1.0\n0.000004 3.644905 3.644906\n3.644907 0.000004 3.644906\n3.644909 3.644906 0.000003\nLi Pr Hg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Li\n0.750000 0.750001 0.749999 Pr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.499998 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pr",
"Hg"
],
"chemical_system": "Hg-Li-Pr",
"density": 9.413596705942934,
"density_atomic": 0.04130203729124266,
"volume": 96.847522842369,
"volume_molar": 14.580735370351535,
"formula_full": "Li1 Pr1 Hg2",
"formula_reduced": "LiPrHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}