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=1031",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1029",
"results": [
{
"id": "jvasp-41889",
"created_at": "2022-09-04T14:37:38.395450Z",
"updated_at": "2022-09-04T14:37:38.395472Z",
"structure_string": "Sc2 Tc1 Ni1\n1.0\n0.000000 3.187874 3.187874\n3.187874 0.000000 3.187874\n3.187874 3.187874 0.000000\nSc Tc Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.749999 0.749999 0.749999 Tc\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tc",
"Ni"
],
"chemical_system": "Ni-Sc-Tc",
"density": 6.320012410306902,
"density_atomic": 0.06173430349223708,
"volume": 64.79379815960812,
"volume_molar": 9.754934322304724,
"formula_full": "Sc2 Tc1 Ni1",
"formula_reduced": "Sc2TcNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8239936,
"spacegroup": 225
},
{
"id": "jvasp-50996",
"created_at": "2022-09-04T14:37:14.020213Z",
"updated_at": "2022-09-04T14:37:14.020245Z",
"structure_string": "Nb4 H4 O12\n1.0\n6.702691 0.016072 -0.023783\n-2.192110 6.332626 0.030265\n-2.240159 -3.151836 5.421766\nNb H O\n4 4 12\ndirect\n0.023117 0.986642 0.473592 Nb\n0.494732 0.968262 0.981084 Nb\n0.556035 0.531457 0.512921 Nb\n0.992435 0.462911 0.977388 Nb\n0.839345 0.282633 0.458413 H\n0.208363 0.649399 0.457657 H\n0.476411 0.318629 0.772817 H\n0.247777 0.199161 0.043286 H\n0.613872 0.794408 0.803960 O\n0.393725 0.218715 0.177414 O\n0.702816 0.288760 0.970183 O\n0.315335 0.728292 0.023105 O\n0.351813 0.295527 0.617731 O\n0.224078 0.894199 0.680546 O\n0.222039 0.531531 0.330527 O\n0.813464 0.474002 0.670065 O\n0.004367 0.796397 0.189949 O\n0.821792 0.137055 0.327773 O\n0.723866 0.732943 0.418332 O\n0.045231 0.213500 0.820692 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"H",
"O"
],
"chemical_system": "H-Nb-O",
"density": 4.090140373926305,
"density_atomic": 0.0867837491309975,
"volume": 230.45789332989744,
"volume_molar": 6.939249364428538,
"formula_full": "Nb4 H4 O12",
"formula_reduced": "NbHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.8239139800000004,
"spacegroup": 1
},
{
"id": "jvasp-41690",
"created_at": "2022-09-04T14:37:41.567161Z",
"updated_at": "2022-09-04T14:37:41.567185Z",
"structure_string": "Ga1 Si1 Ru2\n1.0\n0.000000 2.984888 2.984888\n2.984888 0.000000 2.984888\n2.984888 2.984888 -0.000000\nGa Si Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ga\n0.750001 0.750001 0.750001 Si\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Si",
"Ru"
],
"chemical_system": "Ga-Ru-Si",
"density": 9.364437084494199,
"density_atomic": 0.07520485454066499,
"volume": 53.188055803460244,
"volume_molar": 8.00764896997931,
"formula_full": "Ga1 Si1 Ru2",
"formula_reduced": "GaSiRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8237729812500003,
"spacegroup": 225
},
{
"id": "jvasp-86501",
"created_at": "2022-09-04T14:35:47.535309Z",
"updated_at": "2022-09-04T14:35:47.535336Z",
"structure_string": "Ti4 Sb2 P2\n1.0\n3.655548 0.000000 -0.000000\n-1.827774 3.165798 0.000000\n-0.000000 0.000000 12.602459\nTi Sb P\n4 2 2\ndirect\n0.666668 0.333333 0.600611 Ti\n0.333334 0.666667 0.399389 Ti\n0.333334 0.666667 0.100611 Ti\n0.666668 0.333333 0.899389 Ti\n0.666668 0.333333 0.250000 Sb\n0.333334 0.666667 0.750000 Sb\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Sb",
"P"
],
"chemical_system": "P-Sb-Ti",
"density": 5.657937644993082,
"density_atomic": 0.05485282540795149,
"volume": 145.8448118306102,
"volume_molar": 10.9787248244956,
"formula_full": "Ti4 Sb2 P2",
"formula_reduced": "Ti2SbP",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.823764566666666,
"spacegroup": 194
},
{
"id": "jvasp-79762",
"created_at": "2022-09-04T14:37:16.373122Z",
"updated_at": "2022-09-04T14:37:16.373149Z",
"structure_string": "H2 C2\n1.0\n-1.268240 -2.196656 0.000000\n-1.268240 2.196656 0.000000\n0.000000 -0.000000 -4.632471\nH C\n2 2\ndirect\n0.666667 0.333333 0.209896 H\n0.333334 0.666667 0.790104 H\n0.666667 0.333333 0.450315 C\n0.333334 0.666667 0.549685 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.6750913977732997,
"density_atomic": 0.15497219658492797,
"volume": 25.81108152395528,
"volume_molar": 3.8859491526273504,
"formula_full": "H2 C2",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy_above_hull": 2.823665,
"spacegroup": 164
},
{
"id": "jvasp-51119",
"created_at": "2022-09-04T14:36:53.428520Z",
"updated_at": "2022-09-04T14:36:53.428544Z",
"structure_string": "K1 Ta1 Pt1\n1.0\n-0.000000 3.223433 3.223433\n3.223433 0.000000 3.223433\n3.223433 3.223433 0.000000\nK Ta Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ta\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ta",
"Pt"
],
"chemical_system": "K-Pt-Ta",
"density": 10.290760396079701,
"density_atomic": 0.04478528228473414,
"volume": 66.98629207976664,
"volume_molar": 13.446695996494263,
"formula_full": "K1 Ta1 Pt1",
"formula_reduced": "KTaPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.823582866666667,
"spacegroup": 216
},
{
"id": "jvasp-41879",
"created_at": "2022-09-04T14:37:34.795523Z",
"updated_at": "2022-09-04T14:37:34.795551Z",
"structure_string": "Sc2 Ru1 Pt1\n1.0\n-0.000000 3.235903 3.235903\n3.235903 0.000000 3.235903\n3.235903 3.235903 0.000000\nSc Ru Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.749999 0.749999 0.749999 Ru\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ru",
"Pt"
],
"chemical_system": "Pt-Ru-Sc",
"density": 9.460061849317523,
"density_atomic": 0.05902602150516548,
"volume": 67.76672216761132,
"volume_molar": 10.202518493429192,
"formula_full": "Sc2 Ru1 Pt1",
"formula_reduced": "Sc2RuPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8235056000000003,
"spacegroup": 225
},
{
"id": "jvasp-109268",
"created_at": "2022-09-04T14:38:17.017156Z",
"updated_at": "2022-09-04T14:38:17.017175Z",
"structure_string": "Co1 H3\n1.0\n2.615106 -0.000000 0.000000\n0.000000 2.615106 0.000000\n0.000000 0.000000 2.615106\nCo H\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500001 0.500001 H\n0.500001 0.000000 0.500001 H\n0.500001 0.500001 -0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"H"
],
"chemical_system": "Co-H",
"density": 5.75269954377215,
"density_atomic": 0.2236619463643027,
"volume": 17.88413301869761,
"volume_molar": 2.692519160229018,
"formula_full": "Co1 H3",
"formula_reduced": "CoH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.823290225,
"spacegroup": 221
},
{
"id": "jvasp-106196",
"created_at": "2022-09-04T14:38:39.186410Z",
"updated_at": "2022-09-04T14:38:39.186437Z",
"structure_string": "Ta1 Sn1 Rh1\n1.0\n3.790769 -0.000000 2.188602\n1.263590 3.573971 2.188602\n-0.000000 -0.000000 4.377202\nTa Sn Rh\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Ta\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Ta",
"density": 11.27219335437053,
"density_atomic": 0.05058786152685924,
"volume": 59.3027637352722,
"volume_molar": 11.904319689027751,
"formula_full": "Ta1 Sn1 Rh1",
"formula_reduced": "TaSnRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8231912999999995,
"spacegroup": 216
},
{
"id": "jvasp-47887",
"created_at": "2022-09-04T14:36:48.369546Z",
"updated_at": "2022-09-04T14:36:48.369564Z",
"structure_string": "Li3 Mn1 Co3 O8\n1.0\n5.653947 -0.000513 -0.037638\n2.826529 4.896718 -0.037638\n-0.031457 -3.282983 4.741180\nLi Mn Co O\n3 1 3 8\ndirect\n-0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.238926 0.016905 0.777978 O\n0.240433 0.521249 0.784304 O\n0.266818 0.476881 0.210061 O\n0.736944 0.024739 0.784304 O\n0.263056 0.975262 0.215695 O\n0.733182 0.523120 0.789938 O\n0.759567 0.478752 0.215695 O\n0.761074 0.983096 0.222021 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.827008815179589,
"density_atomic": 0.11457816798451587,
"volume": 130.91499247943207,
"volume_molar": 5.255923415369875,
"formula_full": "Li3 Mn1 Co3 O8",
"formula_reduced": "Li3MnCo3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.8230091960919546,
"spacegroup": 12
},
{
"id": "jvasp-99899",
"created_at": "2022-09-04T14:36:17.522355Z",
"updated_at": "2022-09-04T14:36:17.522380Z",
"structure_string": "Zr3 Se4\n1.0\n6.600217 -0.033414 0.000000\n-1.990970 6.292855 0.000000\n0.000000 0.000000 3.801261\nZr Se\n3 4\ndirect\n-0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Zr\n0.736022 0.263978 0.500000 Se\n0.741960 0.741959 0.000000 Se\n0.263978 0.736022 0.500000 Se\n0.258041 0.258041 0.000000 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 6.210181528814534,
"density_atomic": 0.04440793593212368,
"volume": 157.6294834035815,
"volume_molar": 13.560956242606455,
"formula_full": "Zr3 Se4",
"formula_reduced": "Zr3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.822809566666667,
"spacegroup": 65
},
{
"id": "jvasp-86164",
"created_at": "2022-09-04T14:35:44.504127Z",
"updated_at": "2022-09-04T14:35:44.504145Z",
"structure_string": "Be12 W1\n1.0\n3.896653 0.000000 1.588643\n1.948327 5.094977 0.794321\n0.024847 0.000000 5.512268\nBe W\n12 1\ndirect\n0.000001 0.649350 0.350650 Be\n0.000000 0.500000 -0.000000 Be\n0.649350 0.350651 0.350650 Be\n0.500000 0.211337 0.788663 Be\n0.000001 0.350651 0.649350 Be\n0.500000 -0.000000 0.500000 Be\n0.350651 0.649350 0.649349 Be\n0.288664 0.211337 0.211336 Be\n0.500000 0.788664 0.211336 Be\n0.000000 -0.000000 0.500000 Be\n0.711337 0.788664 0.788663 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.000000 W\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"W"
],
"chemical_system": "Be-W",
"density": 4.438599482702833,
"density_atomic": 0.11900848066406455,
"volume": 109.23591266320099,
"volume_molar": 5.060261862345098,
"formula_full": "Be12 W1",
"formula_reduced": "Be12W",
"formula_anonymous": "AB12",
"energy_above_hull": 2.822744092307692,
"spacegroup": 139
}
]
}