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=499",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=497",
"results": [
{
"id": "jvasp-17741",
"created_at": "2022-09-04T14:38:33.762712Z",
"updated_at": "2022-09-04T14:38:33.762740Z",
"structure_string": "Pr8\n1.0\n6.360277 -0.032154 3.723317\n2.119431 5.996846 3.723317\n-0.045711 -0.032154 7.369812\nPr\n8\ndirect\n0.249994 0.249994 0.249994 Pr\n0.750006 0.750008 0.750006 Pr\n0.749999 0.250020 0.749999 Pr\n0.749999 0.750000 0.250019 Pr\n0.250019 0.750000 0.749999 Pr\n0.749981 0.250002 0.250001 Pr\n0.250001 0.749982 0.250001 Pr\n0.250001 0.250002 0.749981 Pr\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.611255365038342,
"density_atomic": 0.028255322136395658,
"volume": 283.1325001846362,
"volume_molar": 21.313297123032566,
"formula_full": "Pr8",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy_above_hull": 0.0189099999999999,
"spacegroup": 225
},
{
"id": "jvasp-25159",
"created_at": "2022-09-04T14:37:45.632225Z",
"updated_at": "2022-09-04T14:37:45.632244Z",
"structure_string": "Pr8\n1.0\n6.360277 -0.031812 3.723882\n2.119753 5.996731 3.723882\n-0.045226 -0.031812 7.370101\nPr\n8\ndirect\n0.250002 0.250002 0.250002 Pr\n0.749997 0.749998 0.749997 Pr\n0.750000 0.250004 0.750000 Pr\n0.750000 0.750001 0.250003 Pr\n0.250003 0.750001 0.750001 Pr\n0.749996 0.250000 0.249999 Pr\n0.249999 0.749996 0.249999 Pr\n0.249999 0.250000 0.749996 Pr\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.611624019044719,
"density_atomic": 0.028256897697636587,
"volume": 283.11671315103786,
"volume_molar": 21.312108726301165,
"formula_full": "Pr8",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy_above_hull": 0.0189099999999999,
"spacegroup": 225
},
{
"id": "jvasp-91746",
"created_at": "2022-09-04T14:35:45.598778Z",
"updated_at": "2022-09-04T14:35:45.598802Z",
"structure_string": "Yb2 In4 Pt2\n1.0\n4.351136 0.000000 0.000000\n-2.175568 5.129400 0.000000\n0.000000 0.000000 8.071260\nYb In Pt\n2 4 2\ndirect\n0.430543 0.861085 0.250000 Yb\n0.569457 0.138915 0.750000 Yb\n0.141369 0.282737 0.449483 In\n0.858632 0.717263 0.550517 In\n0.141369 0.282737 0.050517 In\n0.858632 0.717263 0.949483 In\n0.719274 0.438548 0.250000 Pt\n0.280727 0.561452 0.750000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"In",
"Pt"
],
"chemical_system": "In-Pt-Yb",
"density": 11.020349817487341,
"density_atomic": 0.044409862050511104,
"volume": 180.14016776050602,
"volume_molar": 13.560368084797265,
"formula_full": "Yb2 In4 Pt2",
"formula_reduced": "YbIn2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.01895801,
"spacegroup": 63
},
{
"id": "jvasp-25046",
"created_at": "2022-09-04T14:37:42.619654Z",
"updated_at": "2022-09-04T14:37:42.619666Z",
"structure_string": "Tl1\n1.0\n3.047165 -0.000000 -1.607676\n-0.848205 2.926733 -1.607676\n-0.087118 -0.115951 3.526491\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 11.195687569838638,
"density_atomic": 0.03298802126878772,
"volume": 30.314034050480323,
"volume_molar": 18.255538005542544,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy_above_hull": 0.0189926,
"spacegroup": 225
},
{
"id": "jvasp-78715",
"created_at": "2022-09-04T14:37:16.801017Z",
"updated_at": "2022-09-04T14:37:16.801032Z",
"structure_string": "Tl1\n1.0\n3.047166 -0.000000 -1.607677\n-0.848206 2.926734 -1.607677\n-0.087118 -0.115951 3.526492\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 11.195676946026563,
"density_atomic": 0.03298798996579391,
"volume": 30.314062816101423,
"volume_molar": 18.255555328604476,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy_above_hull": 0.0189926,
"spacegroup": 225
},
{
"id": "jvasp-7806",
"created_at": "2022-09-04T14:36:32.211290Z",
"updated_at": "2022-09-04T14:36:32.211310Z",
"structure_string": "Tl1\n1.0\n3.047166 -0.000000 -1.607677\n-0.848206 2.926734 -1.607677\n-0.087118 -0.115951 3.526492\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 11.195676946026563,
"density_atomic": 0.03298798996579391,
"volume": 30.314062816101423,
"volume_molar": 18.255555328604476,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy_above_hull": 0.0189926,
"spacegroup": 225
},
{
"id": "jvasp-114742",
"created_at": "2022-09-04T14:38:42.925373Z",
"updated_at": "2022-09-04T14:38:42.925397Z",
"structure_string": "Cd1 F2\n1.0\n3.663162 -0.190933 -0.508219\n1.294420 -3.506592 -0.359254\n0.899141 -0.843430 -3.298421\nCd F\n1 2\ndirect\n0.079340 0.077161 0.082943 Cd\n0.816378 0.812789 0.827951 F\n0.342318 0.341520 0.337921 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"F"
],
"chemical_system": "Cd-F",
"density": 6.329731349307234,
"density_atomic": 0.07603036188888766,
"volume": 39.45792082884285,
"volume_molar": 7.920705110940916,
"formula_full": "Cd1 F2",
"formula_reduced": "CdF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0190266666666666,
"spacegroup": 12
},
{
"id": "jvasp-105704",
"created_at": "2022-09-04T14:36:14.005436Z",
"updated_at": "2022-09-04T14:36:14.005458Z",
"structure_string": "Na1 H1 F2\n1.0\n3.752856 -0.001183 0.424407\n-0.502573 3.719053 0.424407\n0.026015 0.029758 3.168247\nNa H F\n1 1 2\ndirect\n0.736327 0.263675 0.500001 Na\n0.098902 0.901098 0.000001 H\n0.287954 0.127283 0.102522 F\n0.872720 0.712047 0.897480 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"H",
"F"
],
"chemical_system": "F-H-Na",
"density": 2.333134941749203,
"density_atomic": 0.09065619358117803,
"volume": 44.122743763979045,
"volume_molar": 6.6428343416023505,
"formula_full": "Na1 H1 F2",
"formula_reduced": "NaHF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.01905,
"spacegroup": 5
},
{
"id": "jvasp-86217",
"created_at": "2022-09-04T14:35:41.587993Z",
"updated_at": "2022-09-04T14:35:41.588010Z",
"structure_string": "Ca4 Te4\n1.0\n4.433675 -0.000000 0.000000\n-0.000000 7.609439 0.000000\n0.000000 0.000000 7.679506\nCa Te\n4 4\ndirect\n0.250000 0.499995 0.750014 Ca\n0.750001 0.500005 0.249987 Ca\n0.250000 -0.000005 0.749987 Ca\n0.750001 0.000005 0.250014 Ca\n0.250000 0.749999 0.083323 Te\n0.750001 0.250001 0.916677 Te\n0.250000 0.249999 0.416677 Te\n0.750001 0.750001 0.583323 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.298682753913921,
"density_atomic": 0.0308773633220818,
"volume": 259.0894797768836,
"volume_molar": 19.50341645814458,
"formula_full": "Ca4 Te4",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0191049999999999,
"spacegroup": 194
},
{
"id": "jvasp-86819",
"created_at": "2022-09-04T14:36:18.985163Z",
"updated_at": "2022-09-04T14:36:18.985202Z",
"structure_string": "Ca4 Te4\n1.0\n4.433654 -0.000000 0.000000\n-0.000000 7.609464 0.000000\n0.000000 0.000000 7.679504\nCa Te\n4 4\ndirect\n0.250000 0.499995 0.750014 Ca\n0.749999 0.500005 0.249985 Ca\n0.250000 -0.000005 0.749985 Ca\n0.749999 0.000005 0.250014 Ca\n0.250000 0.750000 0.083319 Te\n0.749999 0.250000 0.916680 Te\n0.250000 0.250000 0.416680 Te\n0.749999 0.750000 0.583319 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.298690111261177,
"density_atomic": 0.030877416169778946,
"volume": 259.0890363368533,
"volume_molar": 19.503383077416068,
"formula_full": "Ca4 Te4",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0191049999999999,
"spacegroup": 194
},
{
"id": "jvasp-50849",
"created_at": "2022-09-04T14:37:15.350583Z",
"updated_at": "2022-09-04T14:37:15.350609Z",
"structure_string": "Li2 Ag4 F12\n1.0\n0.000000 4.795290 -0.004562\n10.257647 0.000000 0.000000\n0.000000 -0.004187 -4.794963\nLi Ag F\n2 4 12\ndirect\n0.000000 0.999932 0.000000 Li\n0.500000 0.500077 0.499999 Li\n0.000000 0.336236 0.000000 Ag\n0.000000 0.663764 0.000000 Ag\n0.500000 0.163776 0.499999 Ag\n0.500000 0.836253 0.499999 Ag\n0.791826 0.500009 0.791851 F\n0.708174 -0.000003 0.291852 F\n0.697761 0.332360 0.302270 F\n0.697728 0.667660 0.302302 F\n0.302271 0.667660 0.697697 F\n0.208173 0.500009 0.208148 F\n0.291825 -0.000003 0.708147 F\n0.802243 0.167646 0.802275 F\n0.197756 0.167646 0.197724 F\n0.197732 0.832350 0.197700 F\n0.302238 0.332360 0.697729 F\n0.802267 0.832350 0.802298 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.740590607166816,
"density_atomic": 0.07631752152503433,
"volume": 235.85671599798331,
"volume_molar": 7.890901905173331,
"formula_full": "Li2 Ag4 F12",
"formula_reduced": "LiAg2F6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0191247222222223,
"spacegroup": 136
},
{
"id": "jvasp-64174",
"created_at": "2022-09-04T14:36:15.407162Z",
"updated_at": "2022-09-04T14:36:15.407194Z",
"structure_string": "K1 Ba1 Cd1\n1.0\n-0.000000 4.177189 4.177189\n4.177189 -0.000000 4.177189\n4.177189 4.177189 -0.000000\nK Ba Cd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd-K",
"density": 3.290171209608842,
"density_atomic": 0.020579692534087122,
"volume": 145.77477263233925,
"volume_molar": 29.26254000163142,
"formula_full": "K1 Ba1 Cd1",
"formula_reduced": "KBaCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0191406616666667,
"spacegroup": 216
}
]
}