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=1519",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1517",
"results": [
{
"id": "jvasp-2080",
"created_at": "2022-09-04T14:36:58.751088Z",
"updated_at": "2022-09-04T14:36:58.751113Z",
"structure_string": "Zr1 Co1 Bi1\n1.0\n3.815250 0.000000 2.202736\n1.271750 3.597053 2.202736\n0.000000 0.000000 4.405472\nZr Co Bi\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500001 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Zr",
"density": 9.863877821670064,
"density_atomic": 0.04962025267953408,
"volume": 60.45918426443953,
"volume_molar": 12.136457262507731,
"formula_full": "Zr1 Co1 Bi1",
"formula_reduced": "ZrCoBi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3622399000000005,
"spacegroup": 216
},
{
"id": "jvasp-110536",
"created_at": "2022-09-04T14:38:39.050847Z",
"updated_at": "2022-09-04T14:38:39.050868Z",
"structure_string": "Th1 Co2 Ni3\n1.0\n4.964832 0.047917 0.000000\n-2.598129 4.231026 0.000000\n0.000000 0.000000 3.968897\nTh Co Ni\n1 2 3\ndirect\n0.500000 0.500001 0.000000 Th\n0.000000 0.500001 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.500000 Ni\n0.170470 0.829532 0.000000 Ni\n0.829531 0.170470 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Co",
"Ni"
],
"chemical_system": "Co-Ni-Th",
"density": 10.414437737946855,
"density_atomic": 0.07154263153783559,
"volume": 83.86607916186138,
"volume_molar": 8.417555561700535,
"formula_full": "Th1 Co2 Ni3",
"formula_reduced": "ThCo2Ni3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.362112433333333,
"spacegroup": 65
},
{
"id": "jvasp-17311",
"created_at": "2022-09-04T14:37:56.697533Z",
"updated_at": "2022-09-04T14:37:56.697543Z",
"structure_string": "Ti3 Te4\n1.0\n3.708767 -0.000000 -0.991002\n-0.861028 6.186465 -3.222345\n0.012356 -0.049652 7.481664\nTi Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752149 0.706673 0.504296 Ti\n0.247853 0.293328 0.495704 Ti\n0.633717 0.960245 0.267433 Te\n0.366285 0.039757 0.732567 Te\n0.108681 0.450623 0.217361 Te\n0.891321 0.549378 0.782639 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.347114019189472,
"density_atomic": 0.04091163444639415,
"volume": 171.10047287824653,
"volume_molar": 14.719873311076613,
"formula_full": "Ti3 Te4",
"formula_reduced": "Ti3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.361876580952381,
"spacegroup": 12
},
{
"id": "jvasp-36624",
"created_at": "2022-09-04T14:37:29.860262Z",
"updated_at": "2022-09-04T14:37:29.860272Z",
"structure_string": "Ca1 Os1 O3\n1.0\n3.942119 -0.000000 -0.000000\n-0.000000 3.942119 -0.000000\n0.000000 -0.000000 3.942119\nCa Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Os",
"O"
],
"chemical_system": "Ca-O-Os",
"density": 7.543671855561509,
"density_atomic": 0.08161703508067931,
"volume": 61.26172060841767,
"volume_molar": 7.3785340940736805,
"formula_full": "Ca1 Os1 O3",
"formula_reduced": "CaOsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.361831184,
"spacegroup": 221
},
{
"id": "jvasp-66694",
"created_at": "2022-09-04T14:36:21.724358Z",
"updated_at": "2022-09-04T14:36:21.724384Z",
"structure_string": "Be2 Fe1 Pt1\n1.0\n2.750553 0.000000 -0.000000\n0.000000 2.750553 0.000000\n0.000000 0.000000 5.628038\nBe Fe Pt\n2 1 1\ndirect\n0.000000 0.000000 0.029168 Be\n0.499999 0.499999 0.231665 Be\n0.000000 0.000000 0.452750 Fe\n0.499999 0.499999 0.786418 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Pt"
],
"chemical_system": "Be-Fe-Pt",
"density": 10.488877701108905,
"density_atomic": 0.09394267766411979,
"volume": 42.579156773681675,
"volume_molar": 6.410441888330462,
"formula_full": "Be2 Fe1 Pt1",
"formula_reduced": "Be2FePt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.361772275,
"spacegroup": 99
},
{
"id": "jvasp-116056",
"created_at": "2022-09-04T14:38:48.940972Z",
"updated_at": "2022-09-04T14:38:48.940993Z",
"structure_string": "Ti1 N1 F1\n1.0\n3.695975 0.000000 -0.000000\n-1.847987 3.200808 0.000000\n-0.000000 -0.000000 3.023209\nTi N F\n1 1 1\ndirect\n0.666665 0.333334 0.000000 Ti\n0.333332 0.666668 0.000000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"N",
"F"
],
"chemical_system": "F-N-Ti",
"density": 3.754836359337776,
"density_atomic": 0.08388116124020491,
"volume": 35.76488398162609,
"volume_molar": 7.179372186747385,
"formula_full": "Ti1 N1 F1",
"formula_reduced": "TiNF",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3616639552777774,
"spacegroup": 187
},
{
"id": "jvasp-39276",
"created_at": "2022-09-04T14:37:56.239497Z",
"updated_at": "2022-09-04T14:37:56.239526Z",
"structure_string": "Li1 Ce2 Ru1\n1.0\n-0.000000 3.495471 3.495471\n3.495471 -0.000000 3.495471\n3.495471 3.495471 -0.000000\nLi Ce Ru\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Ru"
],
"chemical_system": "Ce-Li-Ru",
"density": 7.547543518949591,
"density_atomic": 0.04682878452829546,
"volume": 85.41754906286477,
"volume_molar": 12.859912595769442,
"formula_full": "Li1 Ce2 Ru1",
"formula_reduced": "LiCe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.361575375,
"spacegroup": 225
},
{
"id": "jvasp-99473",
"created_at": "2022-09-04T14:36:06.413435Z",
"updated_at": "2022-09-04T14:36:06.413463Z",
"structure_string": "Pm1 Sc3\n1.0\n4.303660 -0.037056 -3.732615\n-0.920272 4.204279 -3.732615\n0.030086 0.037056 5.696753\nPm Sc\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750001 0.250000 0.500001 Sc\n0.250001 0.750000 0.500001 Sc\n0.500000 0.500000 0.000001 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Sc"
],
"chemical_system": "Pm-Sc",
"density": 4.465117503769862,
"density_atomic": 0.038431819989331525,
"volume": 104.08042088848198,
"volume_molar": 15.669673623762069,
"formula_full": "Pm1 Sc3",
"formula_reduced": "PmSc3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.36148173125,
"spacegroup": 139
},
{
"id": "jvasp-67712",
"created_at": "2022-09-04T14:36:09.168368Z",
"updated_at": "2022-09-04T14:36:09.168399Z",
"structure_string": "Be1 Tl1 Mo1\n1.0\n-1.411596 1.411596 6.709271\n1.411596 -1.411596 6.709271\n1.411596 1.411596 -6.709271\nBe Tl Mo\n1 1 1\ndirect\n0.972393 0.972393 0.000000 Be\n0.669881 0.669881 0.000000 Tl\n0.357726 0.357726 0.000000 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Mo"
],
"chemical_system": "Be-Mo-Tl",
"density": 9.605559621599962,
"density_atomic": 0.05610028804245386,
"volume": 53.47566126095025,
"volume_molar": 10.734598644917384,
"formula_full": "Be1 Tl1 Mo1",
"formula_reduced": "BeTlMo",
"formula_anonymous": "ABC",
"energy_above_hull": 2.361478199999999,
"spacegroup": 107
},
{
"id": "jvasp-58415",
"created_at": "2022-09-04T14:37:17.022153Z",
"updated_at": "2022-09-04T14:37:17.022171Z",
"structure_string": "Ru4 O8\n1.0\n4.872799 -0.000000 -0.000000\n0.000000 4.872799 0.000000\n0.000000 0.000000 4.872799\nRu O\n4 8\ndirect\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.351004 0.148996 0.851005 O\n0.148996 0.851005 0.351004 O\n0.851005 0.351004 0.148996 O\n0.648996 0.648996 0.648996 O\n0.351004 0.351004 0.351004 O\n0.148996 0.648996 0.851005 O\n0.851005 0.148996 0.648996 O\n0.648996 0.851005 0.148996 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ru",
"O"
],
"chemical_system": "O-Ru",
"density": 7.639234420638219,
"density_atomic": 0.10371599878172477,
"volume": 115.70056829182707,
"volume_molar": 5.806375902211462,
"formula_full": "Ru4 O8",
"formula_reduced": "RuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3613525000000006,
"spacegroup": 205
},
{
"id": "jvasp-11278",
"created_at": "2022-09-04T14:38:16.664472Z",
"updated_at": "2022-09-04T14:38:16.664494Z",
"structure_string": "Zn2 Co3 O8\n1.0\n4.751074 0.192284 -1.126986\n-0.828412 4.923556 -2.652320\n0.238323 -0.190828 5.596705\nZn Co O\n2 3 8\ndirect\n0.605329 0.708857 0.417712 Zn\n0.394669 0.291144 0.582286 Zn\n0.500000 0.999999 -0.000000 Co\n0.999998 0.745798 -0.000001 Co\n0.999998 0.254202 -0.000001 Co\n0.093513 0.395110 0.790220 O\n0.906486 0.604888 0.209778 O\n0.125314 0.900731 0.801461 O\n0.874685 0.099268 0.198536 O\n0.367011 0.339543 0.227819 O\n0.367011 0.888278 0.227820 O\n0.632989 0.111721 0.772178 O\n0.632989 0.660457 0.772179 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Zn",
"density": 5.545960618461258,
"density_atomic": 0.09967136790287695,
"volume": 130.42863034314556,
"volume_molar": 6.041996700464844,
"formula_full": "Zn2 Co3 O8",
"formula_reduced": "Zn2Co3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.361343961538461,
"spacegroup": 12
},
{
"id": "jvasp-37095",
"created_at": "2022-09-04T14:38:03.652134Z",
"updated_at": "2022-09-04T14:38:03.652154Z",
"structure_string": "Ag2 N2\n1.0\n1.588791 -2.751867 -0.000000\n1.588791 2.751867 -0.000000\n-0.000000 -0.000000 5.584945\nAg N\n2 2\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.666667 0.333332 0.250000 N\n0.333332 0.666667 0.750001 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 8.288009838976558,
"density_atomic": 0.08190622004667103,
"volume": 48.83633987407498,
"volume_molar": 7.352482823122006,
"formula_full": "Ag2 N2",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy_above_hull": 2.361320255,
"spacegroup": 194
}
]
}