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=-formula_anonymous&page=1537",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=1535",
"results": [
{
"id": "jvasp-79848",
"created_at": "2022-09-04T14:37:15.446037Z",
"updated_at": "2022-09-04T14:37:15.446057Z",
"structure_string": "Li1 Er1 Hg2\n1.0\n-0.000000 3.507715 3.507715\n3.507715 0.000000 3.507715\n3.507715 3.507715 0.000000\nLi Er Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Li\n0.249999 0.249999 0.249999 Er\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Er",
"Hg"
],
"chemical_system": "Er-Hg-Li",
"density": 11.068810795663332,
"density_atomic": 0.046340113789375886,
"volume": 86.31830336413752,
"volume_molar": 12.995524325580442,
"formula_full": "Li1 Er1 Hg2",
"formula_reduced": "LiErHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-30513",
"created_at": "2022-09-04T14:37:15.440012Z",
"updated_at": "2022-09-04T14:37:15.440040Z",
"structure_string": "Cu2 O4 F2\n1.0\n-0.000000 -0.000000 4.617432\n4.290441 0.682846 0.000000\n-0.338369 4.331243 -0.000000\nCu O F\n2 4 2\ndirect\n0.000000 0.713805 0.713806 Cu\n0.500000 0.286194 0.286194 Cu\n0.726973 0.030669 0.765953 O\n0.773027 0.234046 0.969331 O\n0.226973 0.969331 0.234048 O\n0.273027 0.765953 0.030670 O\n0.250000 0.379024 0.620975 F\n0.750000 0.620975 0.379025 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O",
"density": 4.378918382906484,
"density_atomic": 0.09208914069386702,
"volume": 86.87234933155139,
"volume_molar": 6.53946894783118,
"formula_full": "Cu2 O4 F2",
"formula_reduced": "CuO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9539605852272728,
"spacegroup": 20
},
{
"id": "jvasp-9869",
"created_at": "2022-09-04T14:37:15.423466Z",
"updated_at": "2022-09-04T14:37:15.423494Z",
"structure_string": "Ca4 Ni4 O8\n1.0\n2.981522 0.235404 -0.037595\n0.835334 8.108951 -0.343758\n0.061775 0.718619 8.644962\nCa Ni O\n4 4 8\ndirect\n0.140722 0.208527 0.978450 Ca\n0.835233 0.819687 0.041635 Ca\n0.688411 0.114770 0.343634 Ca\n0.287455 0.913425 0.676453 Ca\n0.970111 0.549697 0.830857 Ni\n0.626045 0.240245 0.666826 Ni\n0.349774 0.787930 0.353256 Ni\n0.005975 0.478517 0.189212 Ni\n0.430632 0.630592 0.194982 O\n0.820848 0.846663 0.485079 O\n0.155016 0.181523 0.535012 O\n0.545422 0.397623 0.825082 O\n0.396363 0.698400 0.856605 O\n0.721990 0.045361 0.841071 O\n0.579691 0.329812 0.163478 O\n0.253918 0.982840 0.179027 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.17519561709491,
"density_atomic": 0.07690931333092618,
"volume": 208.03722341343806,
"volume_molar": 7.8301840169705725,
"formula_full": "Ca4 Ni4 O8",
"formula_reduced": "CaNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8715899550000001,
"spacegroup": 12
},
{
"id": "jvasp-76848",
"created_at": "2022-09-04T14:37:08.082057Z",
"updated_at": "2022-09-04T14:37:08.082082Z",
"structure_string": "Mg1 Zr1 Hg2\n1.0\n-11.277887 4.215579 0.372708\n-7.941150 1.454384 2.707647\n-6.521599 5.469496 0.248906\nMg Zr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.000000 Zr\n0.750056 -0.000028 -0.000029 Hg\n0.249943 0.000029 0.000029 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Hg"
],
"chemical_system": "Hg-Mg-Zr",
"density": 10.193026785616167,
"density_atomic": 0.047519081025988584,
"volume": 84.17671204147165,
"volume_molar": 12.673100215693232,
"formula_full": "Mg1 Zr1 Hg2",
"formula_reduced": "MgZrHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0073156875,
"spacegroup": 225
},
{
"id": "jvasp-35704",
"created_at": "2022-09-04T14:37:29.220454Z",
"updated_at": "2022-09-04T14:37:29.220471Z",
"structure_string": "K1 Ti1 S2\n1.0\n-1.819166 -3.150888 -0.000000\n-3.638333 0.000000 0.000000\n-1.819166 -1.050295 -7.249254\nK Ti S\n1 1 2\ndirect\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ti\n0.730169 0.730168 0.809498 S\n0.269833 0.269832 0.190502 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ti",
"S"
],
"chemical_system": "K-S-Ti",
"density": 3.0190570801705223,
"density_atomic": 0.048131706824883415,
"volume": 83.10530134643088,
"volume_molar": 12.511795565260607,
"formula_full": "K1 Ti1 S2",
"formula_reduced": "KTiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2930540833333333,
"spacegroup": 166
},
{
"id": "jvasp-101021",
"created_at": "2022-09-04T14:37:09.314404Z",
"updated_at": "2022-09-04T14:37:09.314424Z",
"structure_string": "Ta2 V1 Ir1\n1.0\n3.881764 -0.000000 2.241137\n1.293921 3.659762 2.241137\n-0.000000 -0.000000 4.482275\nTa V Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.749999 0.750000 0.750001 Ta\n0.000000 0.000000 0.000000 V\n0.499999 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"V",
"Ir"
],
"chemical_system": "Ir-Ta-V",
"density": 15.778399604226815,
"density_atomic": 0.0628173370216542,
"volume": 63.67668846931752,
"volume_molar": 9.586749527322477,
"formula_full": "Ta2 V1 Ir1",
"formula_reduced": "Ta2VIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.494900925,
"spacegroup": 225
},
{
"id": "jvasp-77506",
"created_at": "2022-09-04T14:37:08.107605Z",
"updated_at": "2022-09-04T14:37:08.107640Z",
"structure_string": "Ti2 Mn1 Pt1\n1.0\n-8.212823 0.000001 -4.741677\n-5.460734 0.256131 -0.025083\n-4.678594 2.468358 -1.379790\nTi Mn Pt\n2 1 1\ndirect\n0.768823 -0.000001 -0.000000 Ti\n0.231177 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt-Ti",
"density": 9.470350337436598,
"density_atomic": 0.06597921699187144,
"volume": 60.625151106185385,
"volume_molar": 9.127329838942954,
"formula_full": "Ti2 Mn1 Pt1",
"formula_reduced": "Ti2MnPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.655873827011494,
"spacegroup": 71
},
{
"id": "jvasp-81666",
"created_at": "2022-09-04T14:37:08.113580Z",
"updated_at": "2022-09-04T14:37:08.113611Z",
"structure_string": "K2 Rb1 As1\n1.0\n-12.842837 4.970175 0.721720\n-8.920637 1.700744 3.348579\n-7.277218 6.363235 0.493989\nK Rb As\n2 1 1\ndirect\n-0.242806 -0.004556 -0.004547 K\n0.242806 0.004556 0.004547 K\n0.500000 -0.000000 0.000000 Rb\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"As"
],
"chemical_system": "As-K-Rb",
"density": 3.010165220372533,
"density_atomic": 0.030391789416318364,
"volume": 131.61449446778104,
"volume_molar": 19.81502529353047,
"formula_full": "K2 Rb1 As1",
"formula_reduced": "K2RbAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-101672",
"created_at": "2022-09-04T14:37:09.320055Z",
"updated_at": "2022-09-04T14:37:09.320065Z",
"structure_string": "Zn1 Cd1 Ag2\n1.0\n3.167388 -0.000000 0.000000\n0.000000 3.167388 0.000000\n-0.000000 0.000000 7.035618\nZn Cd Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.723857 Ag\n0.000000 0.000000 0.276144 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Zn",
"density": 9.258727267696967,
"density_atomic": 0.05667026010380205,
"volume": 70.58375932408394,
"volume_molar": 10.626633350489898,
"formula_full": "Zn1 Cd1 Ag2",
"formula_reduced": "ZnCdAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-102502",
"created_at": "2022-09-04T14:37:08.135265Z",
"updated_at": "2022-09-04T14:37:08.135282Z",
"structure_string": "Ho1 Sc1 Al2\n1.0\n4.255100 0.000000 2.456683\n1.418367 4.011746 2.456683\n0.000000 0.000000 4.913366\nHo Sc Al\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750001 0.749999 Al\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Sc",
"Al"
],
"chemical_system": "Al-Ho-Sc",
"density": 5.223754321599866,
"density_atomic": 0.04769113692446079,
"volume": 83.87302668702787,
"volume_molar": 12.62737931691296,
"formula_full": "Ho1 Sc1 Al2",
"formula_reduced": "HoScAl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7323416041666668,
"spacegroup": 225
},
{
"id": "jvasp-77534",
"created_at": "2022-09-04T14:37:08.139172Z",
"updated_at": "2022-09-04T14:37:08.139199Z",
"structure_string": "Ca2 Pd1 Rh1\n1.0\n-11.336064 2.444032 -2.553762\n-8.336070 0.405247 0.706579\n-6.933784 4.371471 -1.722229\nCa Pd Rh\n2 1 1\ndirect\n0.750280 -0.000143 -0.000143 Ca\n0.249720 0.000143 0.000143 Ca\n0.500000 0.000000 -0.000000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pd",
"Rh"
],
"chemical_system": "Ca-Pd-Rh",
"density": 5.880063791544569,
"density_atomic": 0.0489296509002445,
"volume": 81.7500212326267,
"volume_molar": 12.307753374896667,
"formula_full": "Ca2 Pd1 Rh1",
"formula_reduced": "Ca2PdRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.778517385,
"spacegroup": 225
},
{
"id": "jvasp-81616",
"created_at": "2022-09-04T14:37:15.397493Z",
"updated_at": "2022-09-04T14:37:15.397517Z",
"structure_string": "Sc2 Ag1 Sn1\n1.0\n-11.489260 2.503613 -2.544971\n-8.442822 0.434893 0.733013\n-7.029091 4.433544 -1.715646\nSc Ag Sn\n2 1 1\ndirect\n0.750074 -0.000023 -0.000024 Sc\n0.250032 -0.000059 -0.000059 Sc\n-0.000141 0.000109 0.000108 Ag\n0.500036 -0.000027 -0.000027 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sc-Sn",
"density": 6.2394551010792,
"density_atomic": 0.047489492935656054,
"volume": 84.2291579196189,
"volume_molar": 12.680996127205345,
"formula_full": "Sc2 Ag1 Sn1",
"formula_reduced": "Sc2AgSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.213562365,
"spacegroup": 225
}
]
}