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=481",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=479",
"results": [
{
"id": "jvasp-15843",
"created_at": "2022-09-04T14:38:20.084003Z",
"updated_at": "2022-09-04T14:38:20.084024Z",
"structure_string": "Ac1\n1.0\n3.454250 0.000000 1.994312\n1.151416 3.256699 1.994312\n0.000000 -0.000000 3.988625\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.40079448920145,
"density_atomic": 0.02228668146576499,
"volume": 44.86984756057647,
"volume_molar": 27.021253788953413,
"formula_full": "Ac1",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy_above_hull": 0.0118099999999999,
"spacegroup": 225
},
{
"id": "jvasp-92505",
"created_at": "2022-09-04T14:36:14.217255Z",
"updated_at": "2022-09-04T14:36:14.217275Z",
"structure_string": "Rb1 Tl1 F3\n1.0\n-0.012580 -4.698367 -0.062333\n-4.698945 0.011822 -0.032655\n0.034087 0.062923 -4.698901\nRb Tl F\n1 1 3\ndirect\n0.989919 0.997616 0.991079 Rb\n0.488281 0.499652 0.496920 Tl\n0.486470 0.999818 0.502175 F\n0.988149 0.501133 0.502427 F\n0.487187 0.501777 0.997398 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"F"
],
"chemical_system": "F-Rb-Tl",
"density": 5.5506088119799335,
"density_atomic": 0.04818639647563233,
"volume": 103.7637251527717,
"volume_molar": 12.497595173038873,
"formula_full": "Rb1 Tl1 F3",
"formula_reduced": "RbTlF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.011834,
"spacegroup": 99
},
{
"id": "jvasp-117853",
"created_at": "2022-09-04T14:38:54.060393Z",
"updated_at": "2022-09-04T14:38:54.060429Z",
"structure_string": "Rb1 Pb1 Br3\n1.0\n5.898627 0.000505 0.002349\n0.000693 5.949437 -0.085166\n-0.003347 -0.093977 5.932829\nRb Pb Br\n1 1 3\ndirect\n0.006022 -0.035651 0.070863 Rb\n0.505989 0.512563 0.483209 Pb\n0.506024 0.567217 0.977000 Br\n0.505970 0.015326 0.465408 Br\n0.005998 0.490542 0.433519 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.246982051886633,
"density_atomic": 0.024020373923365822,
"volume": 208.1566263685949,
"volume_molar": 25.070970082368127,
"formula_full": "Rb1 Pb1 Br3",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.01185,
"spacegroup": 6
},
{
"id": "jvasp-25417",
"created_at": "2022-09-04T14:38:28.666168Z",
"updated_at": "2022-09-04T14:38:28.666194Z",
"structure_string": "Na4\n1.0\n3.728903 -0.000000 0.000000\n-1.864451 3.229091 -0.000000\n0.000000 -0.000000 12.100989\nNa\n4\ndirect\n0.332928 0.665856 0.250000 Na\n0.667071 0.334143 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0480004402071017,
"density_atomic": 0.02745223796195552,
"volume": 145.70761063427216,
"volume_molar": 21.936793526071494,
"formula_full": "Na4",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy_above_hull": 0.0118599999999999,
"spacegroup": 194
},
{
"id": "jvasp-8588",
"created_at": "2022-09-04T14:37:03.043443Z",
"updated_at": "2022-09-04T14:37:03.043470Z",
"structure_string": "Rb1 Cl1\n1.0\n3.909626 -0.000000 0.000000\n-0.000000 3.909626 0.000000\n0.000000 -0.000000 3.909626\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb",
"density": 3.3600401478091224,
"density_atomic": 0.033467583304692655,
"volume": 59.75931939249316,
"volume_molar": 17.993951655169575,
"formula_full": "Rb1 Cl1",
"formula_reduced": "RbCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.011935,
"spacegroup": 221
},
{
"id": "jvasp-14608",
"created_at": "2022-09-04T14:36:45.169500Z",
"updated_at": "2022-09-04T14:36:45.169521Z",
"structure_string": "Na1\n1.0\n3.409489 0.000000 -1.205437\n-1.704745 2.952704 -1.205437\n0.000000 0.000000 3.616310\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0485975820782953,
"density_atomic": 0.027467880017164787,
"volume": 36.40615873431426,
"volume_molar": 21.92430124289439,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy_above_hull": 0.012,
"spacegroup": 229
},
{
"id": "jvasp-25140",
"created_at": "2022-09-04T14:37:41.825513Z",
"updated_at": "2022-09-04T14:37:41.825532Z",
"structure_string": "Na1\n1.0\n3.409489 0.000000 -1.205437\n-1.704745 2.952704 -1.205437\n0.000000 0.000000 3.616310\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0485975820782953,
"density_atomic": 0.027467880017164787,
"volume": 36.40615873431426,
"volume_molar": 21.92430124289439,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy_above_hull": 0.012,
"spacegroup": 229
},
{
"id": "jvasp-81847",
"created_at": "2022-09-04T14:37:18.481134Z",
"updated_at": "2022-09-04T14:37:18.481160Z",
"structure_string": "Na1 Cd2 Ag1\n1.0\n-11.680462 0.880611 -5.305684\n-7.654833 -0.799369 -0.658990\n-6.192436 3.336918 -3.191937\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.640000 0.073469 0.073469 Cd\n0.359999 -0.073468 -0.073468 Cd\n0.500000 0.000001 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Na",
"density": 6.682898359212218,
"density_atomic": 0.04526018679019264,
"volume": 88.37789420848686,
"volume_molar": 13.305602974897418,
"formula_full": "Na1 Cd2 Ag1",
"formula_reduced": "NaCd2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0120149999999999,
"spacegroup": 71
},
{
"id": "jvasp-69080",
"created_at": "2022-09-04T14:36:20.773755Z",
"updated_at": "2022-09-04T14:36:20.773781Z",
"structure_string": "Ba1 Sr2 Ca1\n1.0\n4.174189 -5.899909 0.000000\n4.174189 5.899909 0.000000\n0.000000 0.000000 4.153059\nBa Sr Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 2.8626701468227482,
"density_atomic": 0.019554398990003007,
"volume": 204.55755260210046,
"volume_molar": 30.796859382273833,
"formula_full": "Ba1 Sr2 Ca1",
"formula_reduced": "BaSr2Ca",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0120174999999999,
"spacegroup": 65
},
{
"id": "jvasp-40569",
"created_at": "2022-09-04T14:37:47.483860Z",
"updated_at": "2022-09-04T14:37:47.483885Z",
"structure_string": "Ca2 Zn1 Rh1\n1.0\n-0.000000 3.514268 3.514268\n3.514268 0.000000 3.514268\n3.514268 3.514268 -0.000000\nCa Zn Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Zn\n0.250001 0.250001 0.250001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Rh"
],
"chemical_system": "Ca-Rh-Zn",
"density": 4.753235169678003,
"density_atomic": 0.046081367835739837,
"volume": 86.80297890154371,
"volume_molar": 13.06849393331016,
"formula_full": "Ca2 Zn1 Rh1",
"formula_reduced": "Ca2ZnRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.01203606,
"spacegroup": 225
},
{
"id": "jvasp-111248",
"created_at": "2022-09-04T14:38:49.123035Z",
"updated_at": "2022-09-04T14:38:49.123064Z",
"structure_string": "Ag6 F2\n1.0\n5.762177 0.000000 0.000000\n-2.881089 4.990191 0.000000\n-0.000000 -0.000000 4.507992\nAg F\n6 2\ndirect\n0.168376 0.336752 0.250000 Ag\n0.663248 0.831624 0.250000 Ag\n0.168376 0.831624 0.250000 Ag\n0.831624 0.663248 0.750000 Ag\n0.336752 0.168376 0.750000 Ag\n0.831625 0.168376 0.750000 Ag\n0.333333 0.666666 0.750000 F\n0.666667 0.333333 0.250000 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"F"
],
"chemical_system": "Ag-F",
"density": 8.777753058960382,
"density_atomic": 0.061716755547515385,
"volume": 129.62444200166752,
"volume_molar": 9.757707945881226,
"formula_full": "Ag6 F2",
"formula_reduced": "Ag3F",
"formula_anonymous": "AB3",
"energy_above_hull": 0.012036815,
"spacegroup": 194
},
{
"id": "jvasp-102815",
"created_at": "2022-09-04T14:36:45.714408Z",
"updated_at": "2022-09-04T14:36:45.714424Z",
"structure_string": "Cu1 Cl2\n1.0\n3.161749 -0.140407 5.067347\n1.345155 2.864774 5.067347\n-0.232275 -0.140407 5.968309\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.747009 0.747005 0.747009 Cl\n0.252993 0.252992 0.252993 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu",
"density": 3.7200544668857125,
"density_atomic": 0.04998666804999794,
"volume": 60.016002606921575,
"volume_molar": 12.047493851713625,
"formula_full": "Cu1 Cl2",
"formula_reduced": "CuCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0120533333333333,
"spacegroup": 166
}
]
}