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_reduced&page=841",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=839",
"results": [
{
"id": "jvasp-8814",
"created_at": "2022-09-04T14:37:04.950162Z",
"updated_at": "2022-09-04T14:37:04.950193Z",
"structure_string": "Ca1 H1 N1\n1.0\n3.768655 -0.137692 0.194725\n1.765083 3.057214 0.000000\n2.003572 0.881380 3.077094\nCa H N\n1 1 1\ndirect\n0.051559 0.948440 0.051559 Ca\n0.640817 0.359183 0.640817 H\n0.457625 0.542375 0.457625 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"H",
"N"
],
"chemical_system": "Ca-H-N",
"density": 2.5907907424279015,
"density_atomic": 0.0849592969369274,
"volume": 35.31102666994947,
"volume_molar": 7.088265766218326,
"formula_full": "Ca1 H1 N1",
"formula_reduced": "CaHN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8625945566666664,
"spacegroup": 107
},
{
"id": "jvasp-51763",
"created_at": "2022-09-04T14:37:00.061632Z",
"updated_at": "2022-09-04T14:37:00.061666Z",
"structure_string": "Ca4 H8 O8\n1.0\n0.000000 5.413346 0.032901\n6.087819 0.000000 0.000000\n0.000000 -1.456287 -5.803589\nCa H O\n4 8 8\ndirect\n0.313575 0.571628 0.686080 Ca\n0.686425 0.071628 0.813920 Ca\n0.686425 0.428372 0.313920 Ca\n0.313576 0.928372 0.186080 Ca\n0.220061 0.219282 0.421820 H\n0.779940 0.719282 0.078181 H\n0.220060 0.280718 0.921820 H\n0.779940 0.780718 0.578181 H\n0.865562 -0.004073 0.303537 H\n0.865562 0.504073 0.803537 H\n0.134438 0.004073 0.696463 H\n0.134438 0.495927 0.196463 H\n0.595643 0.738176 0.003586 O\n0.073811 0.880492 0.773501 O\n0.926189 0.380492 0.726499 O\n0.926190 0.119508 0.226499 O\n0.073811 0.619508 0.273501 O\n0.404358 0.261824 0.996414 O\n0.595643 0.761824 0.503586 O\n0.404358 0.238176 0.496414 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"H",
"O"
],
"chemical_system": "Ca-H-O",
"density": 2.577051316153141,
"density_atomic": 0.10472941306064673,
"volume": 190.96831936237814,
"volume_molar": 5.750190499504373,
"formula_full": "Ca4 H8 O8",
"formula_reduced": "Ca(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6344274839999997,
"spacegroup": 14
},
{
"id": "jvasp-51009",
"created_at": "2022-09-04T14:36:51.521304Z",
"updated_at": "2022-09-04T14:36:51.521329Z",
"structure_string": "Ca1 H2 O2\n1.0\n1.922907 -3.330572 -0.000000\n1.922907 3.330572 0.000000\n0.000000 -0.000000 4.481477\nCa H O\n1 2 2\ndirect\n0.000000 0.000000 0.031146 Ca\n0.333334 0.666668 0.990920 H\n0.666668 0.333334 0.572003 H\n0.333334 0.666668 0.211161 O\n0.666668 0.333334 0.789913 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"H",
"O"
],
"chemical_system": "Ca-H-O",
"density": 2.1433649612710264,
"density_atomic": 0.0871047281680638,
"volume": 57.40216524587246,
"volume_molar": 6.913678380788479,
"formula_full": "Ca1 H2 O2",
"formula_reduced": "Ca(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6712754839999997,
"spacegroup": 156
},
{
"id": "jvasp-51010",
"created_at": "2022-09-04T14:37:16.365998Z",
"updated_at": "2022-09-04T14:37:16.366024Z",
"structure_string": "Ca1 H2 O2\n1.0\n3.589602 0.000168 -0.003294\n-1.794656 3.108434 0.000000\n0.011764 0.006792 4.823717\nCa H O\n1 2 2\ndirect\n-0.000002 0.939760 -0.000000 Ca\n0.334028 0.606713 0.557371 H\n0.665969 0.272684 0.442630 H\n0.333902 0.606668 0.759787 O\n0.666095 0.272765 0.240214 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"H",
"O"
],
"chemical_system": "Ca-H-O",
"density": 2.2858177506473605,
"density_atomic": 0.0928939016031142,
"volume": 53.824846558413675,
"volume_molar": 6.482816047203374,
"formula_full": "Ca1 H2 O2",
"formula_reduced": "Ca(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6305914839999995,
"spacegroup": 164
},
{
"id": "jvasp-51035",
"created_at": "2022-09-04T14:37:27.134344Z",
"updated_at": "2022-09-04T14:37:27.134354Z",
"structure_string": "Ca1 H2 O2\n1.0\n-3.590021 -0.021817 0.012177\n1.774947 3.112996 -0.199019\n-0.014796 -0.315194 -4.812591\nCa H O\n1 2 2\ndirect\n0.085763 0.011073 0.974624 Ca\n0.417940 0.676701 0.531958 H\n0.752441 0.345811 0.417324 H\n0.418616 0.676591 0.734404 O\n0.752989 0.345479 0.214876 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"H",
"O"
],
"chemical_system": "Ca-H-O",
"density": 2.2861639285675746,
"density_atomic": 0.0929079700115201,
"volume": 53.81669623585605,
"volume_molar": 6.481834399409745,
"formula_full": "Ca1 H2 O2",
"formula_reduced": "Ca(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6306114839999997,
"spacegroup": 164
},
{
"id": "jvasp-3714",
"created_at": "2022-09-04T14:36:01.495082Z",
"updated_at": "2022-09-04T14:36:01.495099Z",
"structure_string": "Ca1 H2 O2\n1.0\n1.794756 -3.108608 -0.000000\n1.794756 3.108608 0.000000\n0.000000 0.000000 4.825047\nCa H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.442508 H\n0.333334 0.666668 0.557493 H\n0.666668 0.333334 0.240153 O\n0.333334 0.666668 0.759848 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"H",
"O"
],
"chemical_system": "Ca-H-O",
"density": 2.285185624626582,
"density_atomic": 0.09286821248054163,
"volume": 53.839735539732004,
"volume_molar": 6.484609318028815,
"formula_full": "Ca1 H2 O2",
"formula_reduced": "Ca(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6305774839999996,
"spacegroup": 164
},
{
"id": "jvasp-106499",
"created_at": "2022-09-04T14:36:47.405252Z",
"updated_at": "2022-09-04T14:36:47.405279Z",
"structure_string": "Ca1 Ho1 Cd2\n1.0\n4.575141 -0.000000 2.641459\n1.525047 4.313484 2.641459\n-0.000000 -0.000000 5.282917\nCa Ho Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Ho\n0.750001 0.749999 0.750001 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ho",
"Cd"
],
"chemical_system": "Ca-Cd-Ho",
"density": 6.846043945734459,
"density_atomic": 0.03836661899942858,
"volume": 104.25729721087946,
"volume_molar": 15.69630297652679,
"formula_full": "Ca1 Ho1 Cd2",
"formula_reduced": "CaHoCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109508",
"created_at": "2022-09-04T14:38:16.986917Z",
"updated_at": "2022-09-04T14:38:16.986946Z",
"structure_string": "Ca1 Ho1 Hg2\n1.0\n4.539178 -0.000000 2.620696\n1.513059 4.279578 2.620696\n-0.000000 -0.000000 5.241391\nCa Ho Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ho",
"Hg"
],
"chemical_system": "Ca-Hg-Ho",
"density": 9.88625807185026,
"density_atomic": 0.03928577028270224,
"volume": 101.81803668900503,
"volume_molar": 15.329063721200814,
"formula_full": "Ca1 Ho1 Hg2",
"formula_reduced": "CaHoHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-45531",
"created_at": "2022-09-04T14:37:10.291189Z",
"updated_at": "2022-09-04T14:37:10.291203Z",
"structure_string": "Ca2 Ho2 Mn4 O12\n1.0\n5.271271 0.000000 0.000000\n0.000000 5.471409 0.000000\n0.000000 0.000000 7.500296\nCa Ho Mn O\n2 2 4 12\ndirect\n0.488504 0.697012 0.000000 Ca\n0.988503 0.302988 0.500000 Ca\n0.016563 0.184823 0.000000 Ho\n0.516563 0.815178 0.500000 Ho\n0.000635 0.745583 0.749878 Mn\n0.000635 0.745583 0.250123 Mn\n0.500635 0.254417 0.249878 Mn\n0.500635 0.254417 0.750123 Mn\n0.791747 0.039638 0.705311 O\n0.696292 0.551795 0.701140 O\n0.696292 0.551795 0.298861 O\n0.598810 0.272484 0.000000 O\n0.418784 0.223390 0.500000 O\n0.196292 0.448205 0.798861 O\n0.291747 0.960363 0.794690 O\n0.196292 0.448205 0.201140 O\n0.791747 0.039638 0.294690 O\n0.098810 0.727517 0.500000 O\n0.291747 0.960363 0.205310 O\n0.918784 0.776610 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ho",
"Mn",
"O"
],
"chemical_system": "Ca-Ho-Mn-O",
"density": 6.308150169960264,
"density_atomic": 0.09245641886231355,
"volume": 216.3181339500514,
"volume_molar": 6.513491257938722,
"formula_full": "Ca2 Ho2 Mn4 O12",
"formula_reduced": "CaHoMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5896671469425288,
"spacegroup": 31
},
{
"id": "jvasp-40109",
"created_at": "2022-09-04T14:37:54.415743Z",
"updated_at": "2022-09-04T14:37:54.415762Z",
"structure_string": "Ca1 Ho1 Rh2\n1.0\n0.000000 3.390021 3.390021\n3.390021 0.000000 3.390021\n3.390021 3.390021 -0.000000\nCa Ho Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ho",
"Rh"
],
"chemical_system": "Ca-Ho-Rh",
"density": 8.755133963147305,
"density_atomic": 0.05133609501807289,
"volume": 77.91788601356996,
"volume_molar": 11.730811932383837,
"formula_full": "Ca1 Ho1 Rh2",
"formula_reduced": "CaHoRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5065854966666667,
"spacegroup": 225
},
{
"id": "jvasp-53592",
"created_at": "2022-09-04T14:37:07.147439Z",
"updated_at": "2022-09-04T14:37:07.147466Z",
"structure_string": "Ca1 Ho2 Se4\n1.0\n0.000000 6.990087 -0.002763\n4.102209 0.000000 0.000000\n0.000000 -2.219539 -6.789481\nCa Ho Se\n1 2 4\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 -0.000000 Ho\n0.242616 0.500000 0.234165 Se\n0.258837 0.000000 0.757224 Se\n0.741163 0.000000 0.242776 Se\n0.757384 0.500000 0.765834 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Ho",
"Se"
],
"chemical_system": "Ca-Ho-Se",
"density": 5.848439406684406,
"density_atomic": 0.035950504002120846,
"volume": 194.71215200729998,
"volume_molar": 16.75119981529253,
"formula_full": "Ca1 Ho2 Se4",
"formula_reduced": "Ca(HoSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0073221457142858,
"spacegroup": 10
},
{
"id": "jvasp-102227",
"created_at": "2022-09-04T14:36:59.287164Z",
"updated_at": "2022-09-04T14:36:59.287176Z",
"structure_string": "Ca1 Ho2 Te4\n1.0\n4.370223 0.000000 0.000000\n0.000000 7.114678 2.294269\n0.000000 0.026603 7.656011\nCa Ho Te\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 -0.000000 Ho\n0.500000 0.760576 0.246516 Te\n0.000000 0.252277 0.240549 Te\n0.500000 0.239424 0.753484 Te\n0.000000 0.747723 0.759451 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Ho",
"Te"
],
"chemical_system": "Ca-Ho-Te",
"density": 6.1478656917635055,
"density_atomic": 0.029439033605884152,
"volume": 237.77954445491272,
"volume_molar": 20.456312665088028,
"formula_full": "Ca1 Ho2 Te4",
"formula_reduced": "Ca(HoTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7634660885714287,
"spacegroup": 10
}
]
}