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=589",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=587",
"results": [
{
"id": "jvasp-37030",
"created_at": "2022-09-04T14:38:07.836997Z",
"updated_at": "2022-09-04T14:38:07.837025Z",
"structure_string": "Ti2 H2\n1.0\n2.863603 0.000000 0.000000\n-1.431802 2.479607 -0.000000\n0.000000 0.000000 5.264493\nTi H\n2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333320 0.666640 0.250000 H\n0.666680 0.333361 0.750000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.342232918303531,
"density_atomic": 0.10700591286972902,
"volume": 37.38111187247824,
"volume_molar": 5.627857936534279,
"formula_full": "Ti2 H2",
"formula_reduced": "TiH",
"formula_anonymous": "AB",
"energy_above_hull": 2.0467691666666674,
"spacegroup": 194
},
{
"id": "jvasp-78449",
"created_at": "2022-09-04T14:37:08.850402Z",
"updated_at": "2022-09-04T14:37:08.850421Z",
"structure_string": "Ti1 H1\n1.0\n-2.090592 -2.090592 -0.000000\n-2.090592 0.000000 -2.090592\n-0.000000 -2.090592 -2.090592\nTi H\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.44117091078456,
"density_atomic": 0.10944404790350495,
"volume": 18.27417788643351,
"volume_molar": 5.502483575269094,
"formula_full": "Ti1 H1",
"formula_reduced": "TiH",
"formula_anonymous": "AB",
"energy_above_hull": 1.9712891666666672,
"spacegroup": 225
},
{
"id": "jvasp-85305",
"created_at": "2022-09-04T14:36:08.151289Z",
"updated_at": "2022-09-04T14:36:08.151315Z",
"structure_string": "Ti2 Ge2 Te12\n1.0\n3.917926 0.000098 0.449260\n1.839605 7.085584 1.261603\n-0.022454 0.012332 17.501463\nTi Ge Te\n2 2 12\ndirect\n0.736587 0.785999 0.740782 Ti\n0.263416 0.214001 0.259218 Ti\n0.280187 0.033483 0.406368 Ge\n0.719816 0.966517 0.593632 Ge\n0.914143 0.917063 0.254655 Te\n0.155326 0.706910 0.982446 Te\n0.411077 0.061856 0.115991 Te\n0.627132 0.400465 0.345373 Te\n0.085861 0.082936 0.745345 Te\n0.588927 0.938144 0.884009 Te\n0.844678 0.293090 0.017554 Te\n0.122537 0.218415 0.536437 Te\n0.877467 0.781584 0.463563 Te\n0.317899 0.543316 0.820801 Te\n0.682104 0.456683 0.179199 Te\n0.372872 0.599534 0.654627 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Te"
],
"chemical_system": "Ge-Te-Ti",
"density": 6.056801406566574,
"density_atomic": 0.03293047962678534,
"volume": 485.87206081826247,
"volume_molar": 18.287437134992857,
"formula_full": "Ti2 Ge2 Te12",
"formula_reduced": "TiGeTe6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.4343413604166666,
"spacegroup": 12
},
{
"id": "jvasp-93769",
"created_at": "2022-09-04T14:36:13.433853Z",
"updated_at": "2022-09-04T14:36:13.433878Z",
"structure_string": "Ti2 Ge2 Sb2\n1.0\n3.738610 0.000000 0.000000\n-0.000000 3.738610 0.000000\n0.000000 0.000000 8.262790\nTi Ge Sb\n2 2 2\ndirect\n0.750000 0.750000 0.752275 Ti\n0.250000 0.250000 0.247725 Ti\n0.750000 0.250000 0.000000 Ge\n0.250000 0.750000 0.000000 Ge\n0.750000 0.750000 0.381407 Sb\n0.250000 0.250000 0.618593 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Sb"
],
"chemical_system": "Ge-Sb-Ti",
"density": 6.966687221802119,
"density_atomic": 0.05195223174648331,
"volume": 115.49070748834858,
"volume_molar": 11.591688282780353,
"formula_full": "Ti2 Ge2 Sb2",
"formula_reduced": "TiGeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7118701277777777,
"spacegroup": 129
},
{
"id": "jvasp-117118",
"created_at": "2022-09-04T14:38:47.994439Z",
"updated_at": "2022-09-04T14:38:47.994467Z",
"structure_string": "Ti4 Ge4 S12\n1.0\n3.491169 -0.000000 0.000000\n0.000000 9.029578 0.000000\n-0.000000 -0.000000 13.261621\nTi Ge S\n4 4 12\ndirect\n0.750000 0.346551 0.954294 Ti\n0.750000 0.846551 0.545706 Ti\n0.250000 0.653449 0.045706 Ti\n0.250000 0.153449 0.454294 Ti\n0.250000 0.068069 0.839705 Ge\n0.250000 0.568069 0.660295 Ge\n0.750000 0.931932 0.160295 Ge\n0.750000 0.431932 0.339705 Ge\n0.250000 0.678047 0.487887 S\n0.250000 0.178047 0.012113 S\n0.250000 0.264405 0.286168 S\n0.250000 0.764405 0.213832 S\n0.750000 0.735596 0.713832 S\n0.250000 0.013350 0.609198 S\n0.750000 0.986650 0.390802 S\n0.750000 0.486650 0.109198 S\n0.750000 0.821953 0.987887 S\n0.250000 0.513351 0.890802 S\n0.750000 0.235596 0.786168 S\n0.750000 0.321953 0.512113 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"S"
],
"chemical_system": "Ge-S-Ti",
"density": 3.4430003723947986,
"density_atomic": 0.047840428068174734,
"volume": 418.0564599359168,
"volume_molar": 12.587974236806959,
"formula_full": "Ti4 Ge4 S12",
"formula_reduced": "TiGeS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9944208566666668,
"spacegroup": 62
},
{
"id": "jvasp-39649",
"created_at": "2022-09-04T14:37:45.583789Z",
"updated_at": "2022-09-04T14:37:45.583798Z",
"structure_string": "Ti1 Ge1 Ru2\n1.0\n0.000011 3.042402 3.042390\n3.042399 0.000009 3.042392\n3.042386 3.042391 0.000022\nTi Ge Ru\n1 1 2\ndirect\n0.750003 0.750002 0.750003 Ti\n0.250003 0.250003 0.249994 Ge\n-0.000005 0.000001 0.000002 Ru\n0.499997 0.499997 0.500005 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Ti",
"density": 9.512696668458817,
"density_atomic": 0.07102102094789556,
"volume": 56.321353123529335,
"volume_molar": 8.479377907588983,
"formula_full": "Ti1 Ge1 Ru2",
"formula_reduced": "TiGeRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.237743820833334,
"spacegroup": 225
},
{
"id": "jvasp-103634",
"created_at": "2022-09-04T14:36:46.498245Z",
"updated_at": "2022-09-04T14:36:46.498270Z",
"structure_string": "Ti1 Ge1 Rh2\n1.0\n3.765638 -0.000000 2.174092\n1.255213 3.550278 2.174092\n-0.000000 -0.000000 4.348184\nTi Ge Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.499999 Ge\n0.250000 0.250000 0.249999 Rh\n0.750000 0.750000 0.749998 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Ti",
"density": 9.321403013031723,
"density_atomic": 0.06880993514861472,
"volume": 58.131140384900185,
"volume_molar": 8.751847748429737,
"formula_full": "Ti1 Ge1 Rh2",
"formula_reduced": "TiGeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.438942570833333,
"spacegroup": 225
},
{
"id": "jvasp-40786",
"created_at": "2022-09-04T14:37:51.521150Z",
"updated_at": "2022-09-04T14:37:51.521175Z",
"structure_string": "Ti1 Ge1 Pt1\n1.0\n3.690958 0.000000 2.130975\n1.230320 3.479868 2.130975\n-0.000000 0.000000 4.261950\nTi Ge Pt\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500001 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Ti",
"density": 9.573339991579639,
"density_atomic": 0.05480384515960826,
"volume": 54.74068454983286,
"volume_molar": 10.988536921928358,
"formula_full": "Ti1 Ge1 Pt1",
"formula_reduced": "TiGePt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.002438561111111,
"spacegroup": 216
},
{
"id": "jvasp-36223",
"created_at": "2022-09-04T14:37:12.817242Z",
"updated_at": "2022-09-04T14:37:12.817263Z",
"structure_string": "Ti1 Ge1 Pt1\n1.0\n2.993072 2.993072 0.000000\n2.993072 -0.000000 -2.993072\n-0.000000 2.993072 -2.993072\nTi Ge Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Ti",
"density": 9.772197122094646,
"density_atomic": 0.05594222898377141,
"volume": 53.62675128426303,
"volume_molar": 10.764928157844759,
"formula_full": "Ti1 Ge1 Pt1",
"formula_reduced": "TiGePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8607485611111112,
"spacegroup": 216
},
{
"id": "jvasp-17444",
"created_at": "2022-09-04T14:37:39.081370Z",
"updated_at": "2022-09-04T14:37:39.081398Z",
"structure_string": "Ti3 Ge3 Pd3\n1.0\n3.329004 -5.766005 0.000000\n3.329004 5.766005 -0.000000\n0.000000 0.000000 3.710109\nTi Ge Pd\n3 3 3\ndirect\n0.588554 0.588554 0.000000 Ti\n-0.000000 0.411445 0.000000 Ti\n0.411445 -0.000000 0.000000 Ti\n0.666666 0.333332 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.333332 0.666666 0.500000 Ge\n0.739178 -0.000000 0.500000 Pd\n0.260821 0.260821 0.500000 Pd\n-0.000000 0.739178 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Ti",
"density": 7.936893039024311,
"density_atomic": 0.0631882769717833,
"volume": 142.43148304263696,
"volume_molar": 9.530471550425698,
"formula_full": "Ti3 Ge3 Pd3",
"formula_reduced": "TiGePd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.645159994444444,
"spacegroup": 189
},
{
"id": "jvasp-10315",
"created_at": "2022-09-04T14:37:13.446463Z",
"updated_at": "2022-09-04T14:37:13.446498Z",
"structure_string": "Ti2 Ge4 O12\n1.0\n5.438693 0.059982 1.284793\n1.503234 6.527871 0.765067\n0.163663 0.002784 6.740278\nTi Ge O\n2 4 12\ndirect\n0.749999 0.898650 0.101350 Ti\n0.249999 0.101349 0.898650 Ti\n0.753413 0.380645 0.207601 Ge\n0.746585 0.792399 0.619355 Ge\n0.246585 0.619354 0.792400 Ge\n0.253413 0.207600 0.380645 Ge\n0.626672 0.962901 0.825076 O\n0.873326 0.174925 0.037099 O\n0.746536 0.628949 0.086552 O\n0.753462 0.913447 0.371052 O\n0.253463 0.371051 0.913448 O\n0.565604 0.605120 0.663771 O\n-0.065605 0.336229 0.394880 O\n0.126672 0.825074 0.962902 O\n0.065604 0.663770 0.605121 O\n0.434394 0.394880 0.336230 O\n0.246536 0.086552 0.628949 O\n0.373326 0.037098 0.174925 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"O"
],
"chemical_system": "Ge-O-Ti",
"density": 4.046272519127798,
"density_atomic": 0.07584644990940607,
"volume": 237.32158883507262,
"volume_molar": 7.939911185286953,
"formula_full": "Ti2 Ge4 O12",
"formula_reduced": "Ti(GeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.3720945814814813,
"spacegroup": 15
},
{
"id": "jvasp-30404",
"created_at": "2022-09-04T14:37:59.750604Z",
"updated_at": "2022-09-04T14:37:59.750633Z",
"structure_string": "Ti2 Ge2 O6\n1.0\n7.044580 0.738110 0.499128\n4.774487 5.232131 0.499129\n4.774487 2.411767 4.669872\nTi Ge O\n2 2 6\ndirect\n0.162122 0.162122 0.162122 Ti\n0.837878 0.837878 0.837878 Ti\n0.393945 0.393944 0.393945 Ge\n0.606056 0.606056 0.606056 Ge\n0.102503 0.786806 0.445451 O\n0.445451 0.102503 0.786806 O\n0.786806 0.445450 0.102503 O\n0.213194 0.554550 0.897497 O\n0.554550 0.897497 0.213194 O\n0.897498 0.213194 0.554550 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"O"
],
"chemical_system": "Ge-O-Ti",
"density": 3.9347848623049777,
"density_atomic": 0.07031186072983672,
"volume": 142.2235152959978,
"volume_molar": 8.564900284945118,
"formula_full": "Ti2 Ge2 O6",
"formula_reduced": "TiGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0362569566666666,
"spacegroup": 148
}
]
}