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=-elements&page=1156",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1154",
"results": [
{
"id": "jvasp-16891",
"created_at": "2022-09-04T14:38:12.657593Z",
"updated_at": "2022-09-04T14:38:12.657616Z",
"structure_string": "Ti4 Al2 C2\n1.0\n1.536690 -2.661624 0.000000\n1.536690 2.661624 0.000000\n0.000000 0.000000 13.731026\nTi Al C\n4 2 2\ndirect\n0.333333 0.666667 0.916339 Ti\n0.666667 0.333333 0.416339 Ti\n0.666667 0.333333 0.083661 Ti\n0.333333 0.666667 0.583661 Ti\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"C"
],
"chemical_system": "Al-C-Ti",
"density": 3.9835046079755214,
"density_atomic": 0.07122361827929004,
"volume": 112.32229130271791,
"volume_molar": 8.455258108883639,
"formula_full": "Ti4 Al2 C2",
"formula_reduced": "Ti2AlC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.651864866666667,
"spacegroup": 194
},
{
"id": "jvasp-108728",
"created_at": "2022-09-04T14:38:16.976937Z",
"updated_at": "2022-09-04T14:38:16.976954Z",
"structure_string": "Ti1 Al1 Au2\n1.0\n3.097377 0.000000 0.000000\n0.000000 3.097377 0.000000\n-0.000000 0.000000 7.005210\nTi Al Au\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ti\n0.500001 0.500001 -0.000000 Al\n0.000000 0.000000 0.761532 Au\n0.000000 0.000000 0.238468 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ti",
"density": 11.582716542672326,
"density_atomic": 0.05951832412321584,
"volume": 67.20619336860246,
"volume_molar": 10.118128910237564,
"formula_full": "Ti1 Al1 Au2",
"formula_reduced": "TiAlAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4844240683333336,
"spacegroup": 123
},
{
"id": "jvasp-17413",
"created_at": "2022-09-04T14:37:36.003393Z",
"updated_at": "2022-09-04T14:37:36.003429Z",
"structure_string": "Ti2 Al2 Au2\n1.0\n2.226506 -3.856421 0.000000\n2.226506 3.856421 0.000000\n0.000000 -0.000000 5.747556\nTi Al Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333334 0.666668 0.750000 Al\n0.666668 0.333334 0.250000 Al\n0.333334 0.666668 0.250000 Au\n0.666668 0.333334 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ti",
"density": 9.145999397939448,
"density_atomic": 0.06078966280125252,
"volume": 98.70099164090733,
"volume_molar": 9.906521080218788,
"formula_full": "Ti2 Al2 Au2",
"formula_reduced": "TiAlAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5866395677777778,
"spacegroup": 194
},
{
"id": "jvasp-17414",
"created_at": "2022-09-04T14:37:35.791539Z",
"updated_at": "2022-09-04T14:37:35.791569Z",
"structure_string": "Ti1 Al1 Au2\n1.0\n3.951106 -0.000000 2.281172\n1.317036 3.725139 2.281172\n0.000000 0.000000 4.562345\nTi Al Au\n1 1 2\ndirect\n0.500001 0.500000 0.499998 Ti\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.249999 Au\n0.750001 0.750000 0.749998 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ti",
"density": 11.592322068219284,
"density_atomic": 0.05956768256005329,
"volume": 67.15050557770803,
"volume_molar": 10.109744917353071,
"formula_full": "Ti1 Al1 Au2",
"formula_reduced": "TiAlAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4756790683333336,
"spacegroup": 225
},
{
"id": "jvasp-35240",
"created_at": "2022-09-04T14:38:03.590627Z",
"updated_at": "2022-09-04T14:38:03.590643Z",
"structure_string": "Ti1 Ag1 Se2\n1.0\n-1.810012 -3.135033 0.000000\n1.810012 -3.135033 0.000000\n-0.000000 -2.090022 7.462401\nTi Ag Se\n1 1 2\ndirect\n-0.000078 -0.000078 0.000236 Ti\n0.847648 0.847648 0.457052 Ag\n0.734081 0.734081 0.797753 Se\n0.263647 0.263647 0.209058 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"Se"
],
"chemical_system": "Ag-Se-Ti",
"density": 6.149919631401208,
"density_atomic": 0.047231076284766374,
"volume": 84.69000316408491,
"volume_molar": 12.750378000474118,
"formula_full": "Ti1 Ag1 Se2",
"formula_reduced": "TiAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.398465581666667,
"spacegroup": 160
},
{
"id": "jvasp-99612",
"created_at": "2022-09-04T14:36:10.490582Z",
"updated_at": "2022-09-04T14:36:10.490609Z",
"structure_string": "Ti3 Ag1 S6\n1.0\n5.374703 -0.041957 4.763716\n2.117791 4.940056 4.763716\n-0.064181 -0.041957 7.181664\nTi Ag S\n3 1 6\ndirect\n0.500000 0.500000 0.500001 Ti\n0.167328 0.167328 0.167329 Ti\n0.832671 0.832671 0.832673 Ti\n0.000000 0.000000 0.000000 Ag\n0.569048 0.248795 0.909374 S\n0.909374 0.569048 0.248797 S\n0.248795 0.909374 0.569048 S\n0.751204 0.090625 0.430953 S\n0.090626 0.430952 0.751204 S\n0.430952 0.751205 0.090627 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"S"
],
"chemical_system": "Ag-S-Ti",
"density": 3.809118189134785,
"density_atomic": 0.051680906725315646,
"volume": 193.495057142671,
"volume_molar": 11.652544704774082,
"formula_full": "Ti3 Ag1 S6",
"formula_reduced": "Ti3AgS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.578717226,
"spacegroup": 148
},
{
"id": "jvasp-5782",
"created_at": "2022-09-04T14:38:37.178462Z",
"updated_at": "2022-09-04T14:38:37.178487Z",
"structure_string": "Ti1 Ag1 Hg2\n1.0\n4.410012 0.000000 0.000000\n0.000000 4.410012 0.000000\n0.000000 0.000000 4.059571\nTi Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Ti",
"density": 11.713278919822779,
"density_atomic": 0.050664097112587556,
"volume": 78.95137243067923,
"volume_molar": 11.886406949318344,
"formula_full": "Ti1 Ag1 Hg2",
"formula_reduced": "TiAgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1044086983333333,
"spacegroup": 123
},
{
"id": "jvasp-18583",
"created_at": "2022-09-04T14:36:17.619263Z",
"updated_at": "2022-09-04T14:36:17.619289Z",
"structure_string": "Ti1 Ag1 Hg2\n1.0\n4.410012 0.000000 0.000000\n0.000000 4.410012 0.000000\n0.000000 -0.000000 4.059571\nTi Ag Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Ti",
"density": 11.713278919822779,
"density_atomic": 0.050664097112587556,
"volume": 78.95137243067923,
"volume_molar": 11.886406949318344,
"formula_full": "Ti1 Ag1 Hg2",
"formula_reduced": "TiAgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1044086983333333,
"spacegroup": 123
},
{
"id": "jvasp-34964",
"created_at": "2022-09-04T14:38:30.949974Z",
"updated_at": "2022-09-04T14:38:30.950005Z",
"structure_string": "Th2 Zr4 H14\n1.0\n5.731439 -0.000000 3.309048\n1.910480 5.403653 3.309048\n0.000000 0.000000 6.618097\nTh Zr H\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Th\n0.625000 0.625000 0.625001 Zr\n0.625000 0.625000 0.125000 Zr\n0.125000 0.625000 0.625001 Zr\n0.625000 0.125000 0.625001 Zr\n0.497652 0.002348 0.497653 H\n0.002348 0.497652 0.002348 H\n0.002348 0.497652 0.497653 H\n0.497652 0.497652 0.002348 H\n0.247652 0.752347 0.752349 H\n0.750000 0.750000 0.750001 H\n0.500000 0.500000 0.500001 H\n0.247652 0.752347 0.247653 H\n0.247652 0.247652 0.752348 H\n0.752348 0.752347 0.247653 H\n0.752348 0.247652 0.752348 H\n0.497652 0.002348 0.002348 H\n0.752348 0.247652 0.247653 H\n0.002348 0.002348 0.497653 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"Zr",
"H"
],
"chemical_system": "H-Th-Zr",
"density": 6.830229845905187,
"density_atomic": 0.0975766132366157,
"volume": 204.96714670247422,
"volume_molar": 6.171705043089347,
"formula_full": "Th2 Zr4 H14",
"formula_reduced": "ThZr2H7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.5461284600000003,
"spacegroup": 227
},
{
"id": "jvasp-99038",
"created_at": "2022-09-04T14:36:35.165674Z",
"updated_at": "2022-09-04T14:36:35.165701Z",
"structure_string": "Th2 Zr4 F24\n1.0\n6.983886 -0.000286 3.743839\n3.635526 7.255440 1.468997\n0.001647 0.000025 8.247207\nTh Zr F\n2 4 24\ndirect\n0.000000 0.777940 0.222060 Th\n0.000000 0.222060 0.777940 Th\n0.430248 0.188387 0.188387 Zr\n0.569753 0.811613 0.811613 Zr\n0.774129 0.350893 0.350893 Zr\n0.225872 0.649107 0.649107 Zr\n0.663740 0.938757 0.218840 F\n0.336262 0.781160 0.061243 F\n0.336261 0.061243 0.781160 F\n0.663740 0.218840 0.938757 F\n0.888639 0.357586 0.066417 F\n0.111362 0.933584 0.642414 F\n0.111362 0.642414 0.933584 F\n0.888639 0.066416 0.357586 F\n0.426557 0.713140 0.713140 F\n0.866053 0.559871 0.307991 F\n0.719232 0.832533 0.534638 F\n0.719232 0.534638 0.832533 F\n0.280769 0.167467 0.465362 F\n0.500001 0.387330 0.612671 F\n0.500001 0.612671 0.387329 F\n0.500000 -0.000000 -0.000000 F\n0.000000 0.000000 0.000000 F\n0.139622 0.221682 0.221682 F\n0.860379 0.778318 0.778318 F\n0.866053 0.307991 0.559871 F\n0.133949 0.440129 0.692009 F\n0.133949 0.692009 0.440129 F\n0.280770 0.465362 0.167467 F\n0.573445 0.286860 0.286860 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Th",
"Zr",
"F"
],
"chemical_system": "F-Th-Zr",
"density": 5.106220382438622,
"density_atomic": 0.07179446438836114,
"volume": 417.85951403884854,
"volume_molar": 8.388029371490473,
"formula_full": "Th2 Zr4 F24",
"formula_reduced": "ThZr2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.5773091993333332,
"spacegroup": 12
},
{
"id": "jvasp-39722",
"created_at": "2022-09-04T14:37:44.171317Z",
"updated_at": "2022-09-04T14:37:44.171342Z",
"structure_string": "Th1 Zn1 Rh2\n1.0\n0.000000 3.340477 3.340477\n3.340477 0.000000 3.340477\n3.340477 3.340477 0.000000\nTh Zn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Th\n0.750002 0.750002 0.750002 Zn\n0.500002 0.500002 0.500002 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Zn",
"Rh"
],
"chemical_system": "Rh-Th-Zn",
"density": 11.209452043073858,
"density_atomic": 0.053654300594163255,
"volume": 74.55133988709821,
"volume_molar": 11.223966566167698,
"formula_full": "Th1 Zn1 Rh2",
"formula_reduced": "ThZnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7217505000000002,
"spacegroup": 225
},
{
"id": "jvasp-109682",
"created_at": "2022-09-04T14:38:49.807086Z",
"updated_at": "2022-09-04T14:38:49.807118Z",
"structure_string": "Th4 U1 Te5\n1.0\n3.848330 0.000000 0.000000\n0.000000 3.848330 0.000000\n0.000000 0.000000 19.231875\nTh U Te\n4 1 5\ndirect\n0.000000 0.000000 0.197065 Th\n0.000000 0.000000 0.399140 Th\n0.000000 0.000000 0.600860 Th\n0.000000 0.000000 0.802934 Th\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.097384 Te\n0.500000 0.500000 0.298681 Te\n0.500000 0.500000 0.500000 Te\n0.500000 0.500000 0.701319 Te\n0.500000 0.500000 0.902616 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"U",
"Te"
],
"chemical_system": "Te-Th-U",
"density": 10.518722506789624,
"density_atomic": 0.03511023689231978,
"volume": 284.81721814265114,
"volume_molar": 17.15209378526671,
"formula_full": "Th4 U1 Te5",
"formula_reduced": "Th4UTe5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.7787687233333336,
"spacegroup": 123
}
]
}