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=1119",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1117",
"results": [
{
"id": "jvasp-64998",
"created_at": "2022-09-04T14:36:11.365343Z",
"updated_at": "2022-09-04T14:36:11.365367Z",
"structure_string": "Be1 Cu4 Pt1\n1.0\n-0.000000 3.355781 3.355781\n3.355781 0.000000 3.355781\n3.355781 3.355781 -0.000000\nBe Cu Pt\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374685 0.374685 0.374685 Cu\n0.374685 0.875943 0.374685 Cu\n0.374685 0.374685 0.875943 Cu\n0.875943 0.374685 0.374685 Cu\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Pt"
],
"chemical_system": "Be-Cu-Pt",
"density": 10.068605993463292,
"density_atomic": 0.07938536068387474,
"volume": 75.58068576261768,
"volume_molar": 7.585958806663526,
"formula_full": "Be1 Cu4 Pt1",
"formula_reduced": "BeCu4Pt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5300015500000002,
"spacegroup": 216
},
{
"id": "jvasp-38907",
"created_at": "2022-09-04T14:38:05.171246Z",
"updated_at": "2022-09-04T14:38:05.171272Z",
"structure_string": "Pr2 Tl1 Ag1\n1.0\n0.000001 3.847270 3.847269\n3.847271 0.000001 3.847268\n3.847270 3.847268 0.000003\nPr Tl Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500001 0.500001 Pr\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Tl",
"Ag"
],
"chemical_system": "Ag-Pr-Tl",
"density": 8.661575470440239,
"density_atomic": 0.03512145550256648,
"volume": 113.89049635792294,
"volume_molar": 17.146615007341982,
"formula_full": "Pr2 Tl1 Ag1",
"formula_reduced": "Pr2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.53001739,
"spacegroup": 225
},
{
"id": "jvasp-106303",
"created_at": "2022-09-04T14:36:30.653975Z",
"updated_at": "2022-09-04T14:36:30.654004Z",
"structure_string": "Li1 Ta1 F6\n1.0\n4.817041 -0.000000 2.781120\n1.605680 4.541550 2.781120\n-0.000000 0.000000 5.562239\nLi Ta F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.755377 0.244623 0.244623 F\n0.244623 0.755377 0.755377 F\n0.244623 0.755377 0.244623 F\n0.755377 0.244623 0.755377 F\n0.244623 0.244623 0.755377 F\n0.755377 0.755377 0.244624 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ta",
"F"
],
"chemical_system": "F-Li-Ta",
"density": 4.119536375763567,
"density_atomic": 0.065743965870083,
"volume": 121.6841712258254,
"volume_molar": 9.159990092323278,
"formula_full": "Li1 Ta1 F6",
"formula_reduced": "LiTaF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5300463618749999,
"spacegroup": 225
},
{
"id": "jvasp-35063",
"created_at": "2022-09-04T14:37:40.218938Z",
"updated_at": "2022-09-04T14:37:40.218950Z",
"structure_string": "Sm2 Ge2 Au2\n1.0\n2.245508 -3.889334 -0.000000\n2.245508 3.889334 0.000000\n-0.000000 -0.000000 7.570479\nSm Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.749669 Sm\n0.000000 0.000000 0.249669 Sm\n0.666667 0.333334 0.961076 Ge\n0.333334 0.666667 0.461076 Ge\n0.666667 0.333334 0.529255 Au\n0.333334 0.666667 0.029255 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-Sm",
"density": 10.547526174053463,
"density_atomic": 0.04537410260759464,
"volume": 132.23402018304006,
"volume_molar": 13.272198046715802,
"formula_full": "Sm2 Ge2 Au2",
"formula_reduced": "SmGeAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5301607983333332,
"spacegroup": 186
},
{
"id": "jvasp-64691",
"created_at": "2022-09-04T14:36:05.138552Z",
"updated_at": "2022-09-04T14:36:05.138576Z",
"structure_string": "Ba4 Ti1 Tl1\n1.0\n0.000000 5.024387 5.024387\n5.024387 0.000000 5.024387\n5.024387 5.024387 0.000000\nBa Ti Tl\n4 1 1\ndirect\n0.124352 0.625217 0.625217 Ba\n0.625217 0.625217 0.625217 Ba\n0.625217 0.124352 0.625217 Ba\n0.625217 0.625217 0.124352 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Tl"
],
"chemical_system": "Ba-Ti-Tl",
"density": 5.246926342924867,
"density_atomic": 0.02365222517590929,
"volume": 253.67592078022466,
"volume_molar": 25.4612017060187,
"formula_full": "Ba4 Ti1 Tl1",
"formula_reduced": "Ba4TiTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5302091355555555,
"spacegroup": 216
},
{
"id": "jvasp-38822",
"created_at": "2022-09-04T14:38:05.436033Z",
"updated_at": "2022-09-04T14:38:05.436055Z",
"structure_string": "Yb3 Al6 Cu3\n1.0\n-2.735760 4.737776 0.000308\n-5.470915 0.000350 0.000308\n-0.000281 -3.158121 8.541588\nYb Al Cu\n3 6 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.289748 0.855113 0.434633 Yb\n0.710254 0.144885 0.565367 Yb\n0.658243 0.419989 0.238255 Al\n0.658266 0.921746 0.238255 Al\n0.160003 0.420013 0.238255 Al\n0.839999 0.579986 0.761746 Al\n0.341734 0.078251 0.761746 Al\n0.341757 0.580010 0.761746 Al\n0.669649 0.665145 0.004503 Cu\n0.000000 0.500001 0.500000 Cu\n0.330353 0.334853 0.995499 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Yb",
"density": 6.537738833388273,
"density_atomic": 0.054202455433423356,
"volume": 221.3921842478068,
"volume_molar": 11.11045747253456,
"formula_full": "Yb3 Al6 Cu3",
"formula_reduced": "YbAl2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5302984000000002,
"spacegroup": 166
},
{
"id": "jvasp-67476",
"created_at": "2022-09-04T14:36:17.350697Z",
"updated_at": "2022-09-04T14:36:17.350731Z",
"structure_string": "Be1 Cu1 Br1\n1.0\n-1.533975 1.533975 5.672209\n1.533975 -1.533975 5.672209\n1.533975 1.533975 -5.672209\nBe Cu Br\n1 1 1\ndirect\n0.012667 0.012667 0.000000 Be\n0.610290 0.610290 0.000000 Cu\n0.377043 0.377043 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Br"
],
"chemical_system": "Be-Br-Cu",
"density": 4.742009820165698,
"density_atomic": 0.056191739336792716,
"volume": 53.38863034687533,
"volume_molar": 10.71712823108303,
"formula_full": "Be1 Cu1 Br1",
"formula_reduced": "BeCuBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5303068849999999,
"spacegroup": 107
},
{
"id": "jvasp-98010",
"created_at": "2022-09-04T14:36:10.325165Z",
"updated_at": "2022-09-04T14:36:10.325183Z",
"structure_string": "Ba6 Li24\n1.0\n10.708719 0.000000 0.000000\n-5.354360 9.274023 0.000000\n0.000000 0.000000 8.756359\nBa Li\n6 24\ndirect\n0.471431 0.942863 0.250000 Ba\n0.942863 0.471431 0.750000 Ba\n0.057137 0.528568 0.250000 Ba\n0.471431 0.528568 0.250000 Ba\n0.528568 0.057137 0.750000 Ba\n0.528568 0.471431 0.750000 Ba\n0.836226 0.672451 0.433081 Li\n0.163774 0.836226 0.566919 Li\n0.672451 0.836226 0.566919 Li\n0.327548 0.163774 0.066919 Li\n0.836226 0.163774 0.066919 Li\n0.163774 0.327548 0.566919 Li\n0.900239 0.800477 0.750000 Li\n0.099761 0.900238 0.250000 Li\n0.800477 0.900238 0.250000 Li\n0.163774 0.836226 0.933081 Li\n0.099761 0.199523 0.250000 Li\n0.333333 0.666666 0.914635 Li\n0.666667 0.333333 0.414635 Li\n0.666667 0.333333 0.085365 Li\n0.333333 0.666666 0.585365 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.836226 0.163774 0.433081 Li\n0.836226 0.672451 0.066919 Li\n0.327548 0.163774 0.433081 Li\n0.672451 0.836226 0.933081 Li\n0.163774 0.327548 0.933081 Li\n0.900239 0.099761 0.750000 Li\n0.199523 0.099761 0.750000 Li\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Ba",
"Li"
],
"chemical_system": "Ba-Li",
"density": 1.8914483910710242,
"density_atomic": 0.034497848020914434,
"volume": 869.619460953402,
"volume_molar": 17.456569338322367,
"formula_full": "Ba6 Li24",
"formula_reduced": "BaLi4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.5304911940000001,
"spacegroup": 194
},
{
"id": "jvasp-40867",
"created_at": "2022-09-04T14:37:38.165597Z",
"updated_at": "2022-09-04T14:37:38.165610Z",
"structure_string": "Pm1 Sn1 Au2\n1.0\n-0.000000 3.569769 3.569769\n3.569769 -0.000000 3.569769\n3.569769 3.569769 -0.000000\nPm Sn Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Sn\n0.500001 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Sn",
"Au"
],
"chemical_system": "Au-Pm-Sn",
"density": 12.002979195896465,
"density_atomic": 0.04396526085672916,
"volume": 90.98092271156797,
"volume_molar": 13.69749807609358,
"formula_full": "Pm1 Sn1 Au2",
"formula_reduced": "PmSnAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5305845037500001,
"spacegroup": 225
},
{
"id": "jvasp-56234",
"created_at": "2022-09-04T14:37:41.272103Z",
"updated_at": "2022-09-04T14:37:41.272124Z",
"structure_string": "Tb1 Tl1 Se2\n1.0\n4.034183 -0.001213 7.011534\n1.872201 3.573443 7.011534\n-0.002006 -0.001213 8.089267\nTb Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.500000 0.500000 Tl\n0.735393 0.735395 0.735395 Se\n0.264604 0.264605 0.264605 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Tl",
"Se"
],
"chemical_system": "Se-Tb-Tl",
"density": 7.416546658138704,
"density_atomic": 0.03427554332928831,
"volume": 116.7012864412281,
"volume_molar": 17.569789345553875,
"formula_full": "Tb1 Tl1 Se2",
"formula_reduced": "TbTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5305894333333334,
"spacegroup": 166
},
{
"id": "jvasp-110815",
"created_at": "2022-09-04T14:38:36.769496Z",
"updated_at": "2022-09-04T14:38:36.769525Z",
"structure_string": "Li1 Ac2 Pb1\n1.0\n5.005723 -0.000000 2.890056\n1.668574 4.719441 2.890056\n-0.000000 -0.000000 5.780111\nLi Ac Pb\n1 2 1\ndirect\n0.499999 0.500000 0.500001 Li\n0.749999 0.750000 0.750002 Ac\n0.250000 0.250000 0.250001 Ac\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Pb"
],
"chemical_system": "Ac-Li-Pb",
"density": 8.125005561951967,
"density_atomic": 0.029293174456748974,
"volume": 136.5505812934666,
"volume_molar": 20.558170535226967,
"formula_full": "Li1 Ac2 Pb1",
"formula_reduced": "LiAc2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.530595205,
"spacegroup": 225
},
{
"id": "jvasp-65031",
"created_at": "2022-09-04T14:35:53.491070Z",
"updated_at": "2022-09-04T14:35:53.491091Z",
"structure_string": "Sc1 Be1 In4\n1.0\n0.000000 4.187052 4.187052\n4.187052 0.000000 4.187052\n4.187052 4.187052 0.000000\nSc Be In\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Be\n0.124338 0.625221 0.625221 In\n0.625221 0.625221 0.625221 In\n0.625221 0.124338 0.625221 In\n0.625221 0.625221 0.124338 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Be",
"In"
],
"chemical_system": "Be-In-Sc",
"density": 5.805165613063925,
"density_atomic": 0.040869205127685035,
"volume": 146.8098041362582,
"volume_molar": 14.735155090942953,
"formula_full": "Sc1 Be1 In4",
"formula_reduced": "ScBeIn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5306202049999998,
"spacegroup": 216
}
]
}