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=4635",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4633",
"results": [
{
"id": "jvasp-69581",
"created_at": "2022-09-04T14:35:42.750776Z",
"updated_at": "2022-09-04T14:35:42.750792Z",
"structure_string": "Zr1 Ta1 Be2\n1.0\n2.808137 0.000000 -0.000000\n0.000000 2.808137 0.000000\n-0.000000 0.000000 7.336013\nZr Ta Be\n1 1 2\ndirect\n0.500001 0.500001 0.788891 Zr\n0.000000 0.000000 0.447468 Ta\n0.000000 0.000000 0.062086 Be\n0.500001 0.500001 0.201554 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Be"
],
"chemical_system": "Be-Ta-Zr",
"density": 8.329984794660767,
"density_atomic": 0.06914540352140819,
"volume": 57.849109214635725,
"volume_molar": 8.709386963278734,
"formula_full": "Zr1 Ta1 Be2",
"formula_reduced": "ZrTaBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.690926475,
"spacegroup": 99
},
{
"id": "jvasp-70474",
"created_at": "2022-09-04T14:36:16.301646Z",
"updated_at": "2022-09-04T14:36:16.301669Z",
"structure_string": "Zr1 Ta1 Be2\n1.0\n-2.050030 2.050030 3.468929\n2.050030 -2.050030 3.468929\n2.050030 2.050030 -3.468929\nZr Ta Be\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Zr\n0.250000 0.750000 0.500000 Ta\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Be"
],
"chemical_system": "Be-Ta-Zr",
"density": 8.263519363498128,
"density_atomic": 0.06859368834169852,
"volume": 58.31440321555615,
"volume_molar": 8.779438612486894,
"formula_full": "Zr1 Ta1 Be2",
"formula_reduced": "ZrTaBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.678631475,
"spacegroup": 139
},
{
"id": "jvasp-105947",
"created_at": "2022-09-04T14:36:13.310512Z",
"updated_at": "2022-09-04T14:36:13.310541Z",
"structure_string": "Zr1 Ta1 C2\n1.0\n3.104283 -0.000796 4.709488\n1.411923 2.764606 4.709488\n-0.001300 -0.000796 5.640554\nZr Ta C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.499999 0.500001 Ta\n0.245379 0.245379 0.245380 C\n0.754620 0.754619 0.754623 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"C"
],
"chemical_system": "C-Ta-Zr",
"density": 10.154122044697688,
"density_atomic": 0.08258060718800976,
"volume": 48.43752227315637,
"volume_molar": 7.2924394298645705,
"formula_full": "Zr1 Ta1 C2",
"formula_reduced": "ZrTaC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.550230925,
"spacegroup": 166
},
{
"id": "jvasp-102161",
"created_at": "2022-09-04T14:36:35.731446Z",
"updated_at": "2022-09-04T14:36:35.731467Z",
"structure_string": "Zr1 Ta1 Co4\n1.0\n4.164986 0.000000 2.404655\n1.388329 3.926787 2.404655\n0.000000 0.000000 4.809312\nZr Ta Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ta\n0.624745 0.624745 0.125768 Co\n0.624745 0.125767 0.624744 Co\n0.125767 0.624745 0.624744 Co\n0.624745 0.624745 0.624745 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Co"
],
"chemical_system": "Co-Ta-Zr",
"density": 10.722534493252008,
"density_atomic": 0.07628118085543903,
"volume": 78.65635970385199,
"volume_molar": 7.89466116342981,
"formula_full": "Zr1 Ta1 Co4",
"formula_reduced": "ZrTaCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.42322455,
"spacegroup": 216
},
{
"id": "jvasp-101667",
"created_at": "2022-09-04T14:37:04.247781Z",
"updated_at": "2022-09-04T14:37:04.247806Z",
"structure_string": "Zr1 Ta1 Cr4\n1.0\n4.291818 -0.000000 2.477882\n1.430606 4.046364 2.477882\n-0.000000 -0.000000 4.955764\nZr Ta Cr\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.249999 Ta\n0.624703 0.624701 0.125893 Cr\n0.624702 0.125893 0.624701 Cr\n0.125894 0.624701 0.624701 Cr\n0.624703 0.624701 0.624701 Cr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Cr"
],
"chemical_system": "Cr-Ta-Zr",
"density": 9.264347766929543,
"density_atomic": 0.06971630943323906,
"volume": 86.06307546651837,
"volume_molar": 8.638065911631271,
"formula_full": "Zr1 Ta1 Cr4",
"formula_reduced": "ZrTaCr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.565127216666667,
"spacegroup": 216
},
{
"id": "jvasp-116992",
"created_at": "2022-09-04T14:38:46.961899Z",
"updated_at": "2022-09-04T14:38:46.961919Z",
"structure_string": "Zr2 Ta2 Fe8\n1.0\n4.810475 -0.002118 -0.000020\n2.406952 4.164887 0.000009\n0.000030 -0.000001 7.992899\nZr Ta Fe\n2 2 8\ndirect\n0.666662 0.666688 0.069986 Zr\n0.333350 0.333308 0.930017 Zr\n0.333338 0.333320 0.558009 Ta\n0.666667 0.666672 0.441988 Ta\n0.000004 -0.000004 0.499999 Fe\n0.000007 -0.000002 0.000001 Fe\n0.831408 0.337202 0.742764 Fe\n0.337187 0.831400 0.742771 Fe\n0.831411 0.831411 0.742775 Fe\n0.168602 0.662793 0.257237 Fe\n0.662823 0.168594 0.257229 Fe\n0.168598 0.168583 0.257226 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Fe"
],
"chemical_system": "Fe-Ta-Zr",
"density": 10.274536023418856,
"density_atomic": 0.07491611437103407,
"volume": 160.17915639041388,
"volume_molar": 8.038511888342715,
"formula_full": "Zr2 Ta2 Fe8",
"formula_reduced": "ZrTaFe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.534742616666668,
"spacegroup": 164
},
{
"id": "jvasp-34281",
"created_at": "2022-09-04T14:36:35.750199Z",
"updated_at": "2022-09-04T14:36:35.750228Z",
"structure_string": "Zr1 Ta1 N1 O1\n1.0\n1.833651 -3.175976 0.000000\n1.833651 3.175976 -0.000000\n0.000000 0.000000 4.524243\nZr Ta N O\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.500000 N\n0.333333 0.666667 0.000000 O\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Zr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta-Zr",
"density": 9.522305284588278,
"density_atomic": 0.07590846004503646,
"volume": 52.69504871560827,
"volume_molar": 7.933425018011256,
"formula_full": "Zr1 Ta1 N1 O1",
"formula_reduced": "ZrTaNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.3088151125,
"spacegroup": 187
},
{
"id": "jvasp-106682",
"created_at": "2022-09-04T14:36:53.227082Z",
"updated_at": "2022-09-04T14:36:53.227105Z",
"structure_string": "Zr1 Ta1 Te4\n1.0\n3.845868 -0.000000 0.000000\n-1.922934 3.330619 0.000000\n0.000000 -0.000000 13.651783\nZr Ta Te\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666667 0.870764 Te\n0.333334 0.666667 0.363596 Te\n0.666667 0.333333 0.636404 Te\n0.666667 0.333333 0.129236 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Te"
],
"chemical_system": "Ta-Te-Zr",
"density": 7.431297196849238,
"density_atomic": 0.034311724385715205,
"volume": 174.86734075358638,
"volume_molar": 17.551262339083028,
"formula_full": "Zr1 Ta1 Te4",
"formula_reduced": "ZrTaTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6127007944444447,
"spacegroup": 164
},
{
"id": "jvasp-38854",
"created_at": "2022-09-04T14:37:58.517990Z",
"updated_at": "2022-09-04T14:37:58.518013Z",
"structure_string": "Zr1 Tc2 W1\n1.0\n-0.000000 3.197500 3.197500\n3.197500 0.000000 3.197500\n3.197500 3.197500 -0.000000\nZr Tc W\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 Tc\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"W"
],
"chemical_system": "Tc-W-Zr",
"density": 11.963750789090565,
"density_atomic": 0.06117843120625859,
"volume": 65.38251996874999,
"volume_molar": 9.843568462383082,
"formula_full": "Zr1 Tc2 W1",
"formula_reduced": "ZrTc2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.7016968750000006,
"spacegroup": 225
},
{
"id": "jvasp-51182",
"created_at": "2022-09-04T14:37:03.051979Z",
"updated_at": "2022-09-04T14:37:03.051997Z",
"structure_string": "Zr1 Tc1 Cl1\n1.0\n0.000000 2.990703 2.990703\n2.990703 -0.000000 2.990703\n2.990703 2.990703 0.000000\nZr Tc Cl\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Cl"
],
"chemical_system": "Cl-Tc-Zr",
"density": 6.973613264309948,
"density_atomic": 0.05607527343429529,
"volume": 53.49951620860432,
"volume_molar": 10.73938724000389,
"formula_full": "Zr1 Tc1 Cl1",
"formula_reduced": "ZrTcCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0997600225,
"spacegroup": 216
},
{
"id": "jvasp-19746",
"created_at": "2022-09-04T14:38:28.921431Z",
"updated_at": "2022-09-04T14:38:28.921447Z",
"structure_string": "Zr1 Te1\n1.0\n1.903202 -3.296443 -0.000000\n1.903202 3.296443 0.000000\n0.000000 0.000000 3.893809\nZr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666666 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.437191318415957,
"density_atomic": 0.04093500986548878,
"volume": 48.85793374844516,
"volume_molar": 14.71146771379456,
"formula_full": "Zr1 Te1",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.2862311333333332,
"spacegroup": 187
},
{
"id": "jvasp-86166",
"created_at": "2022-09-04T14:35:54.847412Z",
"updated_at": "2022-09-04T14:35:54.847434Z",
"structure_string": "Zr4 Te4\n1.0\n3.813784 -0.000000 0.000000\n0.000000 7.009831 0.000000\n0.000000 0.000000 7.452255\nZr Te\n4 4\ndirect\n0.749999 0.311697 0.991644 Zr\n0.749999 0.188303 0.491645 Zr\n0.250000 0.688303 0.008355 Zr\n0.250000 0.811697 0.508355 Zr\n0.250000 0.425844 0.708377 Te\n0.749999 0.574156 0.291622 Te\n0.250000 0.074156 0.208378 Te\n0.749999 0.925844 0.791622 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.295460225760715,
"density_atomic": 0.04015490842292907,
"volume": 199.22844589110997,
"volume_molar": 14.997271806903848,
"formula_full": "Zr4 Te4",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.2936311333333332,
"spacegroup": 62
}
]
}