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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3389",
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"results": [
{
"id": "jvasp-122713",
"created_at": "2022-09-04T14:38:55.012266Z",
"updated_at": "2022-09-04T14:38:55.012293Z",
"structure_string": "Ta1 Ga3\n1.0\n5.187539 -1.377657 -0.098519\n-3.716497 3.872485 0.098519\n0.077072 -0.045445 4.691693\nTa Ga\n1 3\ndirect\n0.174491 0.825505 -0.000106 Ta\n0.322480 0.677518 0.500043 Ga\n0.912453 0.087546 0.000183 Ga\n0.590572 0.409427 0.499880 Ga\n",
"nsites": 4,
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"elements": [
"Ta",
"Ga"
],
"chemical_system": "Ga-Ta",
"density": 9.220935115896935,
"density_atomic": 0.056936546017642885,
"volume": 70.25364690651455,
"volume_molar": 10.576933764359229,
"formula_full": "Ta1 Ga3",
"formula_reduced": "TaGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.35136904375,
"spacegroup": 38
},
{
"id": "jvasp-122705",
"created_at": "2022-09-04T14:38:52.178874Z",
"updated_at": "2022-09-04T14:38:52.178902Z",
"structure_string": "Ga3 S1\n1.0\n4.889106 0.314750 -0.038924\n-2.091112 4.430539 0.038924\n0.029751 -0.017542 3.586992\nGa S\n3 1\ndirect\n0.355739 0.644262 0.249911 Ga\n0.894259 0.105742 0.249984 Ga\n0.624994 0.375007 0.750021 Ga\n0.125010 0.874991 0.750083 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"S"
],
"chemical_system": "Ga-S",
"density": 5.0030121473025195,
"density_atomic": 0.0499578722492808,
"volume": 80.06746124095757,
"volume_molar": 12.054438047222268,
"formula_full": "Ga3 S1",
"formula_reduced": "Ga3S",
"formula_anonymous": "AB3",
"energy_above_hull": 0.09019924375,
"spacegroup": 65
},
{
"id": "jvasp-12270",
"created_at": "2022-09-04T14:37:01.030231Z",
"updated_at": "2022-09-04T14:37:01.030258Z",
"structure_string": "Cd2 In4 O8\n1.0\n5.689515 -0.000000 3.284843\n1.896505 5.364127 3.284843\n0.000000 0.000000 6.569687\nCd In O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875001 0.874999 Cd\n0.500001 0.500000 -0.000001 In\n0.500001 0.500000 0.499999 In\n0.000000 0.500000 0.500000 In\n0.500000 -0.000000 0.500000 In\n0.736948 0.736947 0.736946 O\n0.263053 0.263053 0.710840 O\n0.263054 0.710840 0.263052 O\n0.710841 0.263053 0.263052 O\n0.736948 0.289160 0.736946 O\n0.289161 0.736947 0.736946 O\n0.263053 0.263053 0.263053 O\n0.736948 0.736947 0.289159 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"In",
"O"
],
"chemical_system": "Cd-In-O",
"density": 6.725643681277904,
"density_atomic": 0.06982469678202816,
"volume": 200.50212382165896,
"volume_molar": 8.624657230949852,
"formula_full": "Cd2 In4 O8",
"formula_reduced": "CdIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.874883384285714,
"spacegroup": 227
},
{
"id": "jvasp-122684",
"created_at": "2022-09-04T14:38:54.138989Z",
"updated_at": "2022-09-04T14:38:54.139015Z",
"structure_string": "Nb1 Ga3\n1.0\n5.038009 -0.751568 -0.883372\n-3.096263 4.044693 0.883372\n-0.727271 0.428825 3.727708\nNb Ga\n1 3\ndirect\n0.124962 0.875037 -0.125045 Nb\n0.375017 0.624984 0.625123 Ga\n0.874973 0.125026 0.124885 Ga\n0.625048 0.374952 0.375038 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Ga"
],
"chemical_system": "Ga-Nb",
"density": 7.784779034359507,
"density_atomic": 0.06207859130606527,
"volume": 64.43445181091259,
"volume_molar": 9.700833464968813,
"formula_full": "Nb1 Ga3",
"formula_reduced": "NbGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.97182409375,
"spacegroup": 139
},
{
"id": "jvasp-122674",
"created_at": "2022-09-04T14:38:52.155394Z",
"updated_at": "2022-09-04T14:38:52.155414Z",
"structure_string": "K1 Ga3\n1.0\n5.663885 -0.654142 -0.772078\n-3.313961 4.639521 0.772078\n-0.962129 0.567306 4.445723\nK Ga\n1 3\ndirect\n0.063445 0.936556 0.929587 K\n0.427705 0.572296 0.312361 Ga\n0.812443 0.187559 0.182495 Ga\n0.696410 0.303592 0.575555 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 3.9948899930469643,
"density_atomic": 0.03876110928367627,
"volume": 103.19622100403993,
"volume_molar": 15.536554219659925,
"formula_full": "K1 Ga3",
"formula_reduced": "KGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0234774999999999,
"spacegroup": 8
},
{
"id": "jvasp-122670",
"created_at": "2022-09-04T14:38:52.109996Z",
"updated_at": "2022-09-04T14:38:52.110022Z",
"structure_string": "Ho1 Ga3\n1.0\n5.420489 -0.833908 -0.891932\n-3.353450 4.339524 0.891932\n-0.826235 0.487178 4.031964\nHo Ga\n1 3\ndirect\n0.101042 0.898958 0.850999 Ho\n0.366283 0.633717 0.617608 Ga\n0.864591 0.135408 0.113937 Ga\n0.668084 0.331916 0.417454 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Ga"
],
"chemical_system": "Ga-Ho",
"density": 7.756904204977358,
"density_atomic": 0.04994734446494329,
"volume": 80.08433767299668,
"volume_molar": 12.056978853453922,
"formula_full": "Ho1 Ga3",
"formula_reduced": "HoGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0161325,
"spacegroup": 107
},
{
"id": "jvasp-122669",
"created_at": "2022-09-04T14:38:54.686819Z",
"updated_at": "2022-09-04T14:38:54.686846Z",
"structure_string": "Ga3 Hg1\n1.0\n4.744481 -0.138386 -0.025996\n-2.417621 4.084649 0.025996\n-0.030143 0.017774 4.703397\nGa Hg\n3 1\ndirect\n0.360307 0.639692 0.437940 Ga\n0.835217 0.164782 0.077606 Ga\n0.664686 0.335313 0.558236 Ga\n0.139790 0.860210 0.926219 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 7.596363999763761,
"density_atomic": 0.044656857603208665,
"volume": 89.57190932558125,
"volume_molar": 13.485366152515173,
"formula_full": "Ga3 Hg1",
"formula_reduced": "Ga3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-122663",
"created_at": "2022-09-04T14:38:52.090194Z",
"updated_at": "2022-09-04T14:38:52.090214Z",
"structure_string": "Ga3 Fe1\n1.0\n4.153805 -0.038638 0.005047\n-2.044426 3.616063 -0.005047\n-0.002288 0.001349 4.654981\nGa Fe\n3 1\ndirect\n0.249963 0.750035 0.375006 Ga\n0.916689 0.083309 -0.006910 Ga\n0.583331 0.416667 0.756904 Ga\n0.250010 0.749987 0.875000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 6.327141496424591,
"density_atomic": 0.0575108284287977,
"volume": 69.55211930136376,
"volume_molar": 10.471316314728137,
"formula_full": "Ga3 Fe1",
"formula_reduced": "Ga3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5060056187499999,
"spacegroup": 164
},
{
"id": "jvasp-122659",
"created_at": "2022-09-04T14:38:54.967272Z",
"updated_at": "2022-09-04T14:38:54.967299Z",
"structure_string": "Dy1 Ga3\n1.0\n5.450414 -0.846190 -0.882815\n-3.378682 4.359764 0.882815\n-0.832764 0.491028 4.038367\nDy Ga\n1 3\ndirect\n0.099792 0.900208 0.849647 Dy\n0.365648 0.634352 0.617326 Ga\n0.863965 0.136034 0.113208 Ga\n0.670595 0.329404 0.419820 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"Ga"
],
"chemical_system": "Dy-Ga",
"density": 7.625523693817887,
"density_atomic": 0.04942244531425124,
"volume": 80.93488645829059,
"volume_molar": 12.185031966161096,
"formula_full": "Dy1 Ga3",
"formula_reduced": "DyGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0172074999999999,
"spacegroup": 107
},
{
"id": "jvasp-122647",
"created_at": "2022-09-04T14:38:54.074329Z",
"updated_at": "2022-09-04T14:38:54.074365Z",
"structure_string": "Be1 Ga3\n1.0\n4.285644 -0.222985 0.017238\n-2.269553 3.642196 -0.017238\n0.017386 -0.010251 4.483189\nBe Ga\n1 3\ndirect\n0.188066 0.811938 0.918244 Be\n0.313420 0.686582 0.410714 Ga\n0.885181 0.114821 0.028566 Ga\n0.613338 0.386665 0.642477 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Ga"
],
"chemical_system": "Be-Ga",
"density": 5.350849042432595,
"density_atomic": 0.059076710163163536,
"volume": 67.70857735565215,
"volume_molar": 10.193764587377146,
"formula_full": "Be1 Ga3",
"formula_reduced": "BeGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1513257687499999,
"spacegroup": 8
},
{
"id": "jvasp-122641",
"created_at": "2022-09-04T14:38:55.057543Z",
"updated_at": "2022-09-04T14:38:55.057569Z",
"structure_string": "Al1 Ga3\n1.0\n4.485656 -0.010463 -0.000567\n-2.180401 3.920085 0.000567\n-0.000500 0.000295 4.588975\nAl Ga\n1 3\ndirect\n0.159358 0.840642 0.918484 Al\n0.342309 0.657692 0.416110 Ga\n0.845074 0.154928 0.080920 Ga\n0.653261 0.346739 0.584488 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Ga"
],
"chemical_system": "Al-Ga",
"density": 4.8659172738731185,
"density_atomic": 0.049634845524601255,
"volume": 80.58854536008218,
"volume_molar": 12.132889095051494,
"formula_full": "Al1 Ga3",
"formula_reduced": "AlGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08899744375,
"spacegroup": 8
},
{
"id": "jvasp-122636",
"created_at": "2022-09-04T14:38:54.900387Z",
"updated_at": "2022-09-04T14:38:54.900409Z",
"structure_string": "As5 Pt1\n1.0\n1.850424 -3.205026 -0.000000\n1.850424 3.205026 0.000000\n0.000000 0.000000 10.803257\nAs Pt\n5 1\ndirect\n0.000000 0.000000 0.786711 As\n0.000000 0.000000 0.219987 As\n0.666666 0.333332 0.085315 As\n0.666666 0.333332 0.568168 As\n0.333332 0.666666 0.440138 As\n0.333332 0.666666 0.899681 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"As",
"Pt"
],
"chemical_system": "As-Pt",
"density": 7.3824702475327495,
"density_atomic": 0.04682348532454529,
"volume": 128.1408241700185,
"volume_molar": 12.861368004237693,
"formula_full": "As5 Pt1",
"formula_reduced": "As5Pt",
"formula_anonymous": "AB5",
"energy_above_hull": 2.6254233583333337,
"spacegroup": 156
}
]
}