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=3517",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3515",
"results": [
{
"id": "jvasp-86300",
"created_at": "2022-09-04T14:36:04.454490Z",
"updated_at": "2022-09-04T14:36:04.454512Z",
"structure_string": "Ti8 Fe2 Bi4\n1.0\n4.701827 0.000004 1.564062\n2.350919 7.448467 0.782035\n-0.000138 0.000004 7.849716\nTi Fe Bi\n8 2 4\ndirect\n0.579269 0.729523 0.111940 Ti\n0.920732 0.888060 0.270477 Ti\n0.308799 0.111938 0.270474 Ti\n0.808800 0.270473 0.111938 Ti\n0.691202 0.888061 0.729527 Ti\n0.079268 0.111939 0.729524 Ti\n0.420732 0.270476 0.888061 Ti\n0.191201 0.729526 0.888062 Ti\n0.250000 0.000001 -0.000001 Fe\n0.750001 -0.000001 0.000001 Fe\n0.360184 0.779630 0.500001 Bi\n0.139817 0.500000 0.220370 Bi\n0.639817 0.220369 0.500000 Bi\n0.860184 0.500000 0.779631 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Bi"
],
"chemical_system": "Bi-Fe-Ti",
"density": 8.036919202932069,
"density_atomic": 0.05092583100893319,
"volume": 274.90960329236805,
"volume_molar": 11.82531662358857,
"formula_full": "Ti8 Fe2 Bi4",
"formula_reduced": "Ti4FeBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.305898204761905,
"spacegroup": 140
},
{
"id": "jvasp-86903",
"created_at": "2022-09-04T14:38:17.022762Z",
"updated_at": "2022-09-04T14:38:17.022782Z",
"structure_string": "Ti8 Fe2 Bi4\n1.0\n4.701827 0.000004 1.564062\n2.350919 7.448467 0.782035\n-0.000138 0.000004 7.849716\nTi Fe Bi\n8 2 4\ndirect\n0.579269 0.729523 0.111940 Ti\n0.920732 0.888060 0.270477 Ti\n0.308799 0.111938 0.270474 Ti\n0.808800 0.270473 0.111938 Ti\n0.691202 0.888061 0.729527 Ti\n0.079268 0.111939 0.729524 Ti\n0.420732 0.270476 0.888061 Ti\n0.191201 0.729526 0.888062 Ti\n0.250000 0.000001 -0.000001 Fe\n0.750001 -0.000001 0.000001 Fe\n0.360184 0.779630 0.500001 Bi\n0.139817 0.500000 0.220370 Bi\n0.639817 0.220369 0.500000 Bi\n0.860184 0.500000 0.779631 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Bi"
],
"chemical_system": "Bi-Fe-Ti",
"density": 8.036919202932069,
"density_atomic": 0.05092583100893319,
"volume": 274.90960329236805,
"volume_molar": 11.82531662358857,
"formula_full": "Ti8 Fe2 Bi4",
"formula_reduced": "Ti4FeBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.305898204761905,
"spacegroup": 140
},
{
"id": "jvasp-109080",
"created_at": "2022-09-04T14:37:50.048429Z",
"updated_at": "2022-09-04T14:37:50.048450Z",
"structure_string": "Ti2 Fe1 Co1\n1.0\n3.617898 -0.000000 2.088795\n1.205966 3.410987 2.088795\n-0.000000 -0.000000 4.177589\nTi Fe Co\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Ti\n0.750001 0.750001 0.749998 Ti\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500000 0.499998 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Ti",
"density": 6.780539704385889,
"density_atomic": 0.07758859678925821,
"volume": 51.5539675355204,
"volume_molar": 7.761631230884354,
"formula_full": "Ti2 Fe1 Co1",
"formula_reduced": "Ti2FeCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4758207666666667,
"spacegroup": 225
},
{
"id": "jvasp-12407",
"created_at": "2022-09-04T14:36:51.587424Z",
"updated_at": "2022-09-04T14:36:51.587450Z",
"structure_string": "Ti1 Fe6 Ge6\n1.0\n2.507483 -4.343087 0.000000\n2.507483 4.343087 -0.000000\n-0.000000 0.000000 7.964303\nTi Fe Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.248900 Fe\n0.500000 -0.000000 0.248900 Fe\n0.499999 0.499999 0.248900 Fe\n-0.000000 0.500000 0.751100 Fe\n0.500000 -0.000000 0.751100 Fe\n0.499999 0.499999 0.751100 Fe\n0.333332 0.666667 0.500000 Ge\n0.666667 0.333332 0.500000 Ge\n0.333332 0.666667 0.000000 Ge\n0.666667 0.333332 0.000000 Ge\n0.000000 0.000000 0.665376 Ge\n0.000000 0.000000 0.334624 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Ti",
"density": 7.8379129461022226,
"density_atomic": 0.0749426517294394,
"volume": 173.4659729806874,
"volume_molar": 8.035665433538895,
"formula_full": "Ti1 Fe6 Ge6",
"formula_reduced": "Ti(FeGe)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.750119002564102,
"spacegroup": 191
},
{
"id": "jvasp-80057",
"created_at": "2022-09-04T14:37:16.164139Z",
"updated_at": "2022-09-04T14:37:16.164162Z",
"structure_string": "Ti1 Fe2 Ge1\n1.0\n0.000009 2.890205 2.890205\n2.890203 0.000009 2.890205\n2.890204 2.890205 0.000009\nTi Fe Ge\n1 2 1\ndirect\n0.749999 0.749998 0.750000 Ti\n0.999999 0.999997 1.000000 Fe\n0.500001 0.499999 0.500001 Fe\n0.250000 0.249999 0.250001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Ti",
"density": 7.985314327612329,
"density_atomic": 0.0828411855628533,
"volume": 48.2851612132605,
"volume_molar": 7.269500936138678,
"formula_full": "Ti1 Fe2 Ge1",
"formula_reduced": "TiFe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.745613820833333,
"spacegroup": 225
},
{
"id": "jvasp-91661",
"created_at": "2022-09-04T14:36:13.983196Z",
"updated_at": "2022-09-04T14:36:13.983221Z",
"structure_string": "Ti2 Fe2 H4\n1.0\n0.000000 0.000000 -2.836889\n0.000000 -4.562297 0.000000\n-4.711332 0.000000 0.000000\nTi Fe H\n2 2 4\ndirect\n0.500000 0.300094 0.289684 Ti\n0.500000 0.800095 0.710316 Ti\n0.000000 0.791466 0.193491 Fe\n0.000000 0.291466 0.806509 Fe\n0.500000 0.438347 0.910616 H\n0.500000 0.938347 0.089384 H\n0.000000 0.552094 0.492469 H\n0.000000 0.052093 0.507530 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Ti",
"density": 5.7583626261928345,
"density_atomic": 0.13119593542986158,
"volume": 60.97749883628724,
"volume_molar": 4.590188514810725,
"formula_full": "Ti2 Fe2 H4",
"formula_reduced": "TiFeH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.037325958333333,
"spacegroup": 26
},
{
"id": "jvasp-85695",
"created_at": "2022-09-04T14:36:03.944138Z",
"updated_at": "2022-09-04T14:36:03.944156Z",
"structure_string": "Ti2 Fe2 H4\n1.0\n4.649443 -0.028265 0.000000\n-0.597195 4.611494 0.000000\n0.000000 0.000000 2.782959\nTi Fe H\n2 2 4\ndirect\n0.717988 0.781981 0.500000 Ti\n0.282011 0.218017 0.500000 Ti\n0.793832 0.293809 0.000000 Fe\n0.206166 0.706189 0.000000 Fe\n0.000000 0.000000 0.000000 H\n0.500000 -0.000001 0.000000 H\n0.499999 0.499999 0.000000 H\n-0.000001 0.500000 0.500000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Ti",
"density": 5.889267404628508,
"density_atomic": 0.1341784108267717,
"volume": 59.62211022403773,
"volume_molar": 4.488159252217379,
"formula_full": "Ti2 Fe2 H4",
"formula_reduced": "TiFeH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0286059583333333,
"spacegroup": 65
},
{
"id": "jvasp-91811",
"created_at": "2022-09-04T14:35:43.810989Z",
"updated_at": "2022-09-04T14:35:43.811015Z",
"structure_string": "Ti2 Fe2 H4\n1.0\n0.000000 2.632958 0.000000\n0.656415 0.000000 5.171912\n5.213145 0.000000 -0.042895\nTi Fe H\n2 2 4\ndirect\n0.000000 0.722549 0.777471 Ti\n0.000000 0.277451 0.222529 Ti\n0.000000 0.232508 0.732491 Fe\n0.000000 0.767493 0.267509 Fe\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 -0.000000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Ti",
"density": 4.941063643289571,
"density_atomic": 0.1125749642357009,
"volume": 71.06375786405056,
"volume_molar": 5.349449409898368,
"formula_full": "Ti2 Fe2 H4",
"formula_reduced": "TiFeH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.129623458333333,
"spacegroup": 65
},
{
"id": "jvasp-95058",
"created_at": "2022-09-04T14:35:41.345438Z",
"updated_at": "2022-09-04T14:35:41.345455Z",
"structure_string": "Ti2 Fe2 H2\n1.0\n-2.899664 0.000000 0.000000\n0.000000 -0.000000 -4.265001\n0.000000 -4.552356 -0.000000\nTi Fe H\n2 2 2\ndirect\n0.499999 0.750000 0.253422 Ti\n0.499999 0.250000 0.746579 Ti\n0.000000 0.750000 0.696501 Fe\n0.000000 0.250000 0.303500 Fe\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Ti",
"density": 6.177396059023524,
"density_atomic": 0.10657325226856945,
"volume": 56.29930467806056,
"volume_molar": 5.650705624356786,
"formula_full": "Ti2 Fe2 H2",
"formula_reduced": "TiFeH",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7949779444444447,
"spacegroup": 51
},
{
"id": "jvasp-41717",
"created_at": "2022-09-04T14:37:32.553409Z",
"updated_at": "2022-09-04T14:37:32.553428Z",
"structure_string": "Ti2 Fe1 Ir1\n1.0\n-0.000000 3.048320 3.048320\n3.048320 -0.000000 3.048320\n3.048320 3.048320 0.000000\nTi Fe Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.249999 0.249999 0.249999 Fe\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Ir"
],
"chemical_system": "Fe-Ir-Ti",
"density": 10.077162335212067,
"density_atomic": 0.07060709265377046,
"volume": 56.65153244043674,
"volume_molar": 8.529087565650409,
"formula_full": "Ti2 Fe1 Ir1",
"formula_reduced": "Ti2FeIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.748350816666667,
"spacegroup": 225
},
{
"id": "jvasp-12642",
"created_at": "2022-09-04T14:37:18.217256Z",
"updated_at": "2022-09-04T14:37:18.217277Z",
"structure_string": "Ti2 Fe4 O10\n1.0\n3.737071 0.000000 0.000000\n-1.868535 4.928270 -0.000000\n0.000000 0.000000 10.060593\nTi Fe O\n2 4 10\ndirect\n0.181625 0.363249 0.750000 Ti\n0.818374 0.636751 0.250000 Ti\n0.138845 0.277689 0.438067 Fe\n0.861154 0.722311 0.561934 Fe\n0.861154 0.722311 0.938066 Fe\n0.138845 0.277689 0.061934 Fe\n0.310166 0.620333 0.578378 O\n0.689832 0.379667 0.421623 O\n0.689832 0.379667 0.078378 O\n0.310166 0.620333 0.921621 O\n0.047388 0.094776 0.619327 O\n0.952610 0.905224 0.380671 O\n0.746633 0.493268 0.750000 O\n0.253366 0.506732 0.250000 O\n0.952610 0.905224 0.119329 O\n0.047388 0.094776 0.880672 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.293713850368839,
"density_atomic": 0.0863516341167953,
"volume": 185.28890812140423,
"volume_molar": 6.973974287336271,
"formula_full": "Ti2 Fe4 O10",
"formula_reduced": "TiFe2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.0651521041666663,
"spacegroup": 63
},
{
"id": "jvasp-110976",
"created_at": "2022-09-04T14:38:37.866365Z",
"updated_at": "2022-09-04T14:38:37.866393Z",
"structure_string": "Ti1 Fe3 O6\n1.0\n4.353595 0.080039 3.087593\n1.638488 4.034297 3.087593\n0.116568 0.080039 5.336050\nTi Fe O\n1 3 6\ndirect\n0.152047 0.152048 0.152047 Ti\n0.656586 0.656587 0.656585 Fe\n0.341014 0.341015 0.341014 Fe\n0.847333 0.847335 0.847333 Fe\n0.742459 0.064622 0.439292 O\n0.439292 0.742460 0.064621 O\n0.064622 0.439293 0.742458 O\n0.256561 0.929780 0.570304 O\n0.570305 0.256561 0.929779 O\n0.929778 0.570306 0.256560 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 5.686873664681698,
"density_atomic": 0.10997857954596209,
"volume": 90.92679721164079,
"volume_molar": 5.475739716644763,
"formula_full": "Ti1 Fe3 O6",
"formula_reduced": "Ti(FeO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.236229583333333,
"spacegroup": 146
}
]
}