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=-nelements&page=1579",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1577",
"results": [
{
"id": "jvasp-35476",
"created_at": "2022-09-04T14:37:43.405721Z",
"updated_at": "2022-09-04T14:37:43.405729Z",
"structure_string": "Pr1 Re4 Si2\n1.0\n0.000000 0.000000 4.132898\n4.174875 0.000000 0.000000\n-2.087437 7.088360 0.000000\nPr Re Si\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.188878 0.377756 Re\n0.500000 0.811123 0.622245 Re\n0.000000 0.303634 0.607269 Re\n0.000000 0.696366 0.392731 Re\n0.500000 0.411064 0.822128 Si\n0.500000 0.588937 0.177872 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"Re",
"Si"
],
"chemical_system": "Pr-Re-Si",
"density": 12.788306324103273,
"density_atomic": 0.05723400143172733,
"volume": 122.30492058728558,
"volume_molar": 10.521963534532222,
"formula_full": "Pr1 Re4 Si2",
"formula_reduced": "Pr(Re2Si)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.767302721428571,
"spacegroup": 65
},
{
"id": "jvasp-57073",
"created_at": "2022-09-04T14:37:43.430817Z",
"updated_at": "2022-09-04T14:37:43.430838Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.091862 -0.000000 0.000000\n0.000000 5.110835 0.000000\n0.000000 0.000000 7.174208\nCa Si O\n4 4 12\ndirect\n0.499248 0.999140 0.250000 Ca\n0.500752 0.000861 0.750000 Ca\n0.999248 0.500862 0.250000 Ca\n0.000752 0.499139 0.750000 Ca\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.248637 0.748637 0.481177 O\n0.251362 0.248636 0.518824 O\n0.499867 0.536716 0.750000 O\n0.751362 0.251364 0.981177 O\n0.500133 0.463284 0.250000 O\n0.251362 0.248636 0.981177 O\n0.751362 0.251364 0.518824 O\n0.999866 0.963285 0.750000 O\n0.748637 0.751365 0.018823 O\n0.748637 0.751365 0.481177 O\n0.000133 0.036716 0.250000 O\n0.248637 0.748637 0.018823 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.132659260137013,
"density_atomic": 0.10712418889471798,
"volume": 186.69919657133713,
"volume_molar": 5.621644207657507,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506359904,
"spacegroup": 74
},
{
"id": "jvasp-39705",
"created_at": "2022-09-04T14:37:43.433759Z",
"updated_at": "2022-09-04T14:37:43.433769Z",
"structure_string": "Yb1 Cd1 Hg2\n1.0\n-0.000000 3.598696 3.598696\n3.598696 -0.000000 3.598696\n3.598696 3.598696 -0.000000\nYb Cd Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250001 0.250001 0.250001 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Yb",
"density": 12.232269064581264,
"density_atomic": 0.04291355685750207,
"volume": 93.2106376845509,
"volume_molar": 14.033189511643151,
"formula_full": "Yb1 Cd1 Hg2",
"formula_reduced": "YbCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-5821",
"created_at": "2022-09-04T14:37:55.674137Z",
"updated_at": "2022-09-04T14:37:55.674163Z",
"structure_string": "S2 I4 O12\n1.0\n4.539793 0.000000 1.289139\n1.762435 7.452191 2.431628\n-0.009740 0.066550 8.672471\nS I O\n2 4 12\ndirect\n0.823943 0.750000 0.250000 S\n0.176057 0.250000 0.750000 S\n0.135553 0.074029 0.252561 I\n0.864447 0.925971 0.747439 I\n0.537858 0.574028 0.752561 I\n0.462142 0.425971 0.247439 I\n0.099149 0.681903 0.131701 O\n0.912753 0.818097 0.368299 O\n0.703037 0.706304 0.859557 O\n0.329734 0.396499 0.647693 O\n0.731103 0.206304 0.359557 O\n0.087248 0.181903 0.631701 O\n0.900851 0.318097 0.868299 O\n0.626075 0.896499 0.147693 O\n0.670267 0.603501 0.352307 O\n0.373926 0.103501 0.852307 O\n0.296964 0.293696 0.140443 O\n0.268898 0.793696 0.640443 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"S",
"I",
"O"
],
"chemical_system": "I-O-S",
"density": 4.3297005410920395,
"density_atomic": 0.06145190407954585,
"volume": 292.9119979211721,
"volume_molar": 9.799762676522919,
"formula_full": "S2 I4 O12",
"formula_reduced": "S(IO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.9863092833333336,
"spacegroup": 15
},
{
"id": "jvasp-40817",
"created_at": "2022-09-04T14:37:43.446375Z",
"updated_at": "2022-09-04T14:37:43.446396Z",
"structure_string": "Nb1 Tl1 Pt1\n1.0\n3.901566 0.000000 2.252573\n1.300523 3.678435 2.252574\n-0.000000 0.000001 4.505147\nNb Tl Pt\n1 1 1\ndirect\n1.000000 0.000000 -0.000001 Nb\n0.250000 0.250001 0.249999 Tl\n0.500002 0.500000 0.499999 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Tl",
"Pt"
],
"chemical_system": "Nb-Pt-Tl",
"density": 12.645411190971123,
"density_atomic": 0.04639917766507585,
"volume": 64.6563183006165,
"volume_molar": 12.97898166098922,
"formula_full": "Nb1 Tl1 Pt1",
"formula_reduced": "NbTlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4249744666666664,
"spacegroup": 216
},
{
"id": "jvasp-58627",
"created_at": "2022-09-04T14:37:31.204512Z",
"updated_at": "2022-09-04T14:37:31.204542Z",
"structure_string": "Pr2 Ti4 O12\n1.0\n0.000000 5.442006 -0.000643\n7.734453 0.000000 0.000000\n0.000000 -0.000735 -5.512663\nPr Ti O\n2 4 12\ndirect\n0.990104 0.500000 0.043214 Pr\n0.490104 0.000000 0.456791 Pr\n0.994315 0.750763 0.514446 Ti\n0.994315 0.249237 0.514446 Ti\n0.494313 0.250766 0.985559 Ti\n0.494313 0.749233 0.985559 Ti\n0.232563 0.769530 0.231559 O\n0.283803 0.216666 0.716192 O\n0.283803 0.783334 0.716192 O\n0.438613 0.500000 0.992663 O\n0.539428 0.000000 0.008316 O\n0.783804 0.283331 0.783808 O\n0.732564 0.269531 0.268445 O\n0.232563 0.230469 0.231559 O\n0.783804 0.716669 0.783808 O\n0.938612 0.000000 0.507338 O\n0.732564 0.730469 0.268445 O\n0.039425 0.500000 0.491692 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"Ti",
"O"
],
"chemical_system": "O-Pr-Ti",
"density": 4.7610303212930205,
"density_atomic": 0.07757511592743706,
"volume": 232.03316920385927,
"volume_molar": 7.762980032969654,
"formula_full": "Pr2 Ti4 O12",
"formula_reduced": "PrTi2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.7889697240740743,
"spacegroup": 31
},
{
"id": "jvasp-38094",
"created_at": "2022-09-04T14:37:55.501504Z",
"updated_at": "2022-09-04T14:37:55.501528Z",
"structure_string": "Y1 Tc1 N3\n1.0\n0.000000 3.503960 1.893529\n4.042179 0.000000 0.000000\n0.000000 3.503857 -2.295069\nY Tc N\n1 1 3\ndirect\n0.831170 0.500000 0.337660 Y\n0.524008 0.000000 0.951985 Tc\n0.412952 0.000000 0.511163 N\n0.075886 0.000000 0.511163 N\n0.510565 0.500000 0.978870 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Tc",
"N"
],
"chemical_system": "N-Tc-Y",
"density": 6.407764344644982,
"density_atomic": 0.08428153045492785,
"volume": 59.32497871136671,
"volume_molar": 7.145267447677075,
"formula_full": "Y1 Tc1 N3",
"formula_reduced": "YTcN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.92969134,
"spacegroup": 38
},
{
"id": "jvasp-56798",
"created_at": "2022-09-04T14:37:43.488708Z",
"updated_at": "2022-09-04T14:37:43.488733Z",
"structure_string": "Ho1 Sb1 Pd1\n1.0\n4.105700 0.000000 2.370427\n1.368567 3.870891 2.370427\n0.000000 0.000000 4.740854\nHo Sb Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Sb\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ho",
"Sb",
"Pd"
],
"chemical_system": "Ho-Pd-Sb",
"density": 8.663807750923523,
"density_atomic": 0.039816815146194263,
"volume": 75.3450518075086,
"volume_molar": 15.124616918476972,
"formula_full": "Ho1 Sb1 Pd1",
"formula_reduced": "HoSbPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1483657888888883,
"spacegroup": 216
},
{
"id": "jvasp-39802",
"created_at": "2022-09-04T14:37:43.491936Z",
"updated_at": "2022-09-04T14:37:43.491967Z",
"structure_string": "Li2 Ag1 Hg1\n1.0\n-0.000000 3.214193 3.214193\n3.214193 -0.000000 3.214193\n3.214193 3.214193 -0.000000\nLi Ag Hg\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Li\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Li",
"density": 8.059678534622885,
"density_atomic": 0.06023017747413786,
"volume": 66.41189131009209,
"volume_molar": 9.998543940179884,
"formula_full": "Li2 Ag1 Hg1",
"formula_reduced": "Li2AgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-23511",
"created_at": "2022-09-04T14:37:43.495595Z",
"updated_at": "2022-09-04T14:37:43.495614Z",
"structure_string": "Ca4 Ru4 O12\n1.0\n5.329074 0.000000 0.000000\n-0.000000 5.586906 0.000000\n0.000000 0.000000 7.676982\nCa Ru O\n4 4 12\ndirect\n0.017188 0.439165 0.250000 Ca\n0.517188 0.060836 0.750000 Ca\n0.482811 0.939165 0.250000 Ca\n0.982811 0.560836 0.750000 Ca\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.599605 0.529577 0.250000 O\n0.099606 0.970423 0.750000 O\n0.304809 0.200901 0.050188 O\n0.804809 0.299099 0.949812 O\n0.195190 0.700902 0.449812 O\n0.804809 0.299099 0.550188 O\n0.695190 0.799099 0.949812 O\n0.195190 0.700902 0.050188 O\n0.400394 0.470423 0.750000 O\n0.304809 0.200901 0.449812 O\n0.695190 0.799099 0.550188 O\n0.900394 0.029577 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 5.496586561821469,
"density_atomic": 0.08750167327245381,
"volume": 228.5670576575837,
"volume_molar": 6.882314971565024,
"formula_full": "Ca4 Ru4 O12",
"formula_reduced": "CaRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.991668284,
"spacegroup": 62
},
{
"id": "jvasp-35279",
"created_at": "2022-09-04T14:37:30.808965Z",
"updated_at": "2022-09-04T14:37:30.808985Z",
"structure_string": "Pr2 Sc2 Si2\n1.0\n4.311350 0.000000 0.000000\n0.000000 4.311350 -0.000000\n-2.155675 -2.155675 7.957097\nPr Sc Si\n2 2 2\ndirect\n0.323545 0.323545 0.647089 Pr\n0.676456 0.676456 0.352911 Pr\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.121196 0.121196 0.242391 Si\n0.878806 0.878806 0.757610 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Sc",
"Si"
],
"chemical_system": "Pr-Sc-Si",
"density": 4.8040582654671224,
"density_atomic": 0.040566733268336035,
"volume": 147.9044408212983,
"volume_molar": 14.845022694249138,
"formula_full": "Pr2 Sc2 Si2",
"formula_reduced": "PrScSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9911512333333332,
"spacegroup": 139
},
{
"id": "jvasp-28855",
"created_at": "2022-09-04T14:37:30.819720Z",
"updated_at": "2022-09-04T14:37:30.819743Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.569117 -0.000000 0.000000\n-1.784559 3.091027 -0.000015\n0.000000 -0.000180 38.011375\nTe Mo W\n8 2 2\ndirect\n0.333339 0.666679 0.329743 Te\n0.333349 0.666700 0.704741 Te\n0.666652 0.333301 0.046717 Te\n0.666662 0.333322 0.421715 Te\n0.666659 0.333316 0.142317 Te\n0.666664 0.333327 0.517039 Te\n0.333337 0.666674 0.234419 Te\n0.333342 0.666685 0.609141 Te\n0.333333 0.666666 0.469381 Mo\n0.666668 0.333335 0.282077 Mo\n0.333325 0.666648 0.094471 W\n0.666676 0.333353 0.656987 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.257890548934835,
"density_atomic": 0.02861568080137388,
"volume": 419.35049818643006,
"volume_molar": 21.04489773212339,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2355044944444447,
"spacegroup": 164
}
]
}