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_full&page=4039",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4037",
"results": [
{
"id": "jvasp-15044",
"created_at": "2022-09-04T14:36:01.915665Z",
"updated_at": "2022-09-04T14:36:01.915691Z",
"structure_string": "Ti2 Be4\n1.0\n3.933225 -0.000000 2.270848\n1.311075 3.708280 2.270848\n0.000000 0.000000 4.541697\nTi Be\n2 4\ndirect\n0.875002 0.875000 0.875000 Ti\n0.125000 0.125000 0.125000 Ti\n0.500001 0.500000 0.500000 Be\n0.500001 0.500000 -0.000000 Be\n0.000001 0.500000 0.500000 Be\n0.500001 -0.000000 0.500000 Be\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Be"
],
"chemical_system": "Be-Ti",
"density": 3.303452940168888,
"density_atomic": 0.09057571766130595,
"volume": 66.2429197904463,
"volume_molar": 6.648736455524287,
"formula_full": "Ti2 Be4",
"formula_reduced": "TiBe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1597001777777773,
"spacegroup": 227
},
{
"id": "jvasp-52543",
"created_at": "2022-09-04T14:38:13.403645Z",
"updated_at": "2022-09-04T14:38:13.403676Z",
"structure_string": "Ti2 Bi4 O10\n1.0\n0.000000 5.630243 0.000000\n-7.910049 2.815121 -0.000872\n-0.000652 0.000000 5.527545\nTi Bi O\n2 4 10\ndirect\n0.314167 0.996631 0.736213 Ti\n0.689201 0.996631 0.236213 Ti\n0.956745 0.657375 0.756199 Bi\n0.385880 0.657376 0.256199 Bi\n0.617496 0.335885 0.756200 Bi\n0.046619 0.335885 0.256200 Bi\n0.254165 0.805489 0.658882 O\n0.940344 0.805489 0.158882 O\n0.242995 0.491559 0.485196 O\n0.265446 0.491559 0.985195 O\n0.760374 0.501699 0.985198 O\n0.737927 0.501699 0.485199 O\n0.063022 0.187770 0.658882 O\n0.749208 0.187770 0.158883 O\n0.599350 0.996633 0.563417 O\n0.404017 0.996633 0.063417 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.363660407773832,
"density_atomic": 0.06499521384851359,
"volume": 246.17197255926735,
"volume_molar": 9.265514186992284,
"formula_full": "Ti2 Bi4 O10",
"formula_reduced": "TiBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3123680541666665,
"spacegroup": 36
},
{
"id": "jvasp-50044",
"created_at": "2022-09-04T14:37:37.300809Z",
"updated_at": "2022-09-04T14:37:37.300826Z",
"structure_string": "Ti2 Bi4 O10\n1.0\n0.000000 4.018153 0.000000\n-6.186986 2.009076 -0.000000\n-0.000000 0.000000 10.351985\nTi Bi O\n2 4 10\ndirect\n0.162400 0.675202 0.250000 Ti\n0.837600 0.324799 0.750000 Ti\n0.141779 0.716442 0.924425 Bi\n0.141779 0.716442 0.575576 Bi\n0.858221 0.283558 0.075576 Bi\n0.858221 0.283558 0.424424 Bi\n0.061292 0.877418 0.381473 O\n0.061292 0.877418 0.118527 O\n0.724721 0.550559 0.914369 O\n0.724721 0.550559 0.585632 O\n0.295536 0.408930 0.750000 O\n0.704464 0.591071 0.250000 O\n0.275279 0.449442 0.085632 O\n0.275279 0.449442 0.414369 O\n0.938708 0.122583 0.618527 O\n0.938708 0.122583 0.881474 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.043736818620169,
"density_atomic": 0.06217141414282991,
"volume": 257.3530009023487,
"volume_molar": 9.686349977764692,
"formula_full": "Ti2 Bi4 O10",
"formula_reduced": "TiBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3256293041666667,
"spacegroup": 63
},
{
"id": "jvasp-11508",
"created_at": "2022-09-04T14:37:07.715536Z",
"updated_at": "2022-09-04T14:37:07.715563Z",
"structure_string": "Ti2 Bi4 O12\n1.0\n5.358142 -0.000000 0.000000\n0.000000 5.358142 -0.000000\n-0.000000 -0.000000 9.402891\nTi Bi O\n2 4 12\ndirect\n0.500000 0.500000 0.296801 Ti\n0.000000 0.000000 0.796806 Ti\n0.000000 0.500000 0.998754 Bi\n0.000000 0.500000 0.498749 Bi\n0.500000 0.000000 0.998754 Bi\n0.500000 0.000000 0.498749 Bi\n0.741272 0.741272 0.366379 O\n0.241271 0.758729 0.866391 O\n0.258727 0.741272 0.366379 O\n0.000000 0.000000 0.078027 O\n0.241271 0.241271 0.866391 O\n0.758729 0.241271 0.866391 O\n0.758729 0.758729 0.866391 O\n0.000000 0.000000 0.606375 O\n0.500000 0.500000 0.106372 O\n0.500000 0.500000 0.578020 O\n0.741272 0.258727 0.366379 O\n0.258727 0.258727 0.366379 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 6.911776646603542,
"density_atomic": 0.06667801546056651,
"volume": 269.95404520767767,
"volume_molar": 9.031673660955768,
"formula_full": "Ti2 Bi4 O12",
"formula_reduced": "Ti(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.4713275481481487,
"spacegroup": 107
},
{
"id": "jvasp-3891",
"created_at": "2022-09-04T14:36:18.413528Z",
"updated_at": "2022-09-04T14:36:18.413548Z",
"structure_string": "Ti2 Br2 N2\n1.0\n3.373464 0.000000 0.000000\n0.000000 3.946651 0.000000\n0.000000 0.000000 8.355622\nTi Br N\n2 2 2\ndirect\n0.000000 0.500000 0.909698 Ti\n0.499999 0.000000 0.090301 Ti\n0.499999 0.500000 0.671756 Br\n0.000000 0.000000 0.328244 Br\n0.000000 0.000000 0.957898 N\n0.499999 0.500000 0.042102 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Br",
"N"
],
"chemical_system": "Br-N-Ti",
"density": 4.232563003609578,
"density_atomic": 0.05393462482205683,
"volume": 111.24579098854268,
"volume_molar": 11.165630204842392,
"formula_full": "Ti2 Br2 N2",
"formula_reduced": "TiBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.133125229444444,
"spacegroup": 59
},
{
"id": "jvasp-11999",
"created_at": "2022-09-04T14:37:12.793234Z",
"updated_at": "2022-09-04T14:37:12.793259Z",
"structure_string": "Ti2 Br2 O2\n1.0\n3.380318 -0.000000 0.000000\n-0.000000 4.043537 0.000000\n0.000000 0.000000 7.993130\nTi Br O\n2 2 2\ndirect\n0.250000 0.750001 0.919294 Ti\n0.750000 0.250000 0.080706 Ti\n0.750000 0.750001 0.674405 Br\n0.250000 0.250000 0.325595 Br\n0.250000 0.250000 0.932104 O\n0.750000 0.750001 0.067896 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Br",
"O"
],
"chemical_system": "Br-O-Ti",
"density": 4.3703147737823915,
"density_atomic": 0.054918086217302625,
"volume": 109.25362504911224,
"volume_molar": 10.965678476433599,
"formula_full": "Ti2 Br2 O2",
"formula_reduced": "TiBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0623353127777782,
"spacegroup": 59
},
{
"id": "jvasp-29655",
"created_at": "2022-09-04T14:38:33.810453Z",
"updated_at": "2022-09-04T14:38:33.810479Z",
"structure_string": "Ti2 Br6\n1.0\n5.721277 0.040831 4.375675\n2.185106 5.287719 4.375676\n0.060583 0.040829 7.202490\nTi Br\n2 6\ndirect\n0.333368 0.333368 0.333368 Ti\n0.666633 0.666632 0.666632 Ti\n0.740778 0.421471 0.080647 Br\n0.919353 0.259223 0.578530 Br\n0.259223 0.578529 0.919353 Br\n0.421471 0.080647 0.740777 Br\n0.578530 0.919353 0.259223 Br\n0.080648 0.740777 0.421471 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Br"
],
"chemical_system": "Br-Ti",
"density": 4.437489000944754,
"density_atomic": 0.03716986761046674,
"volume": 215.22810045595276,
"volume_molar": 16.201673955664596,
"formula_full": "Ti2 Br6",
"formula_reduced": "TiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5833826620833333,
"spacegroup": 148
},
{
"id": "jvasp-109137",
"created_at": "2022-09-04T14:38:03.323186Z",
"updated_at": "2022-09-04T14:38:03.323207Z",
"structure_string": "Ti2 C1\n1.0\n2.934872 -0.002004 4.189105\n1.319955 2.621297 4.189105\n-0.003255 -0.002004 5.114887\nTi C\n2 1\ndirect\n0.246353 0.246356 0.246356 Ti\n0.753641 0.753648 0.753648 Ti\n0.499997 0.500002 0.500002 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 4.539524738002005,
"density_atomic": 0.07611787020205404,
"volume": 39.4125583392774,
"volume_molar": 7.911599134361345,
"formula_full": "Ti2 C1",
"formula_reduced": "Ti2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.823288888888889,
"spacegroup": 166
},
{
"id": "jvasp-108730",
"created_at": "2022-09-04T14:38:17.852231Z",
"updated_at": "2022-09-04T14:38:17.852244Z",
"structure_string": "Ti2 C1 N1\n1.0\n2.904599 0.001494 4.389173\n1.321899 2.586364 4.389173\n0.002440 0.001494 5.263224\nTi C N\n2 1 1\ndirect\n0.250632 0.250631 0.250632 Ti\n0.749370 0.749365 0.749368 Ti\n0.000000 0.000000 0.000000 C\n0.500001 0.499998 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"C",
"N"
],
"chemical_system": "C-N-Ti",
"density": 5.119504592108078,
"density_atomic": 0.10128960253695828,
"volume": 39.49072658805716,
"volume_molar": 5.945467855698868,
"formula_full": "Ti2 C1 N1",
"formula_reduced": "Ti2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.340802479166666,
"spacegroup": 166
},
{
"id": "jvasp-18657",
"created_at": "2022-09-04T14:35:47.998240Z",
"updated_at": "2022-09-04T14:35:47.998252Z",
"structure_string": "Ti2 Cd1\n1.0\n2.794063 -0.000000 -0.583352\n-0.121794 2.791406 -0.583352\n0.002078 0.002170 6.992950\nTi Cd\n2 1\ndirect\n0.676853 0.676854 0.353705 Ti\n0.323148 0.323148 0.646296 Ti\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Cd"
],
"chemical_system": "Cd-Ti",
"density": 6.3363494911242615,
"density_atomic": 0.05499779752570286,
"volume": 54.54763890495742,
"volume_molar": 10.949785320376861,
"formula_full": "Ti2 Cd1",
"formula_reduced": "Ti2Cd",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6783921388888885,
"spacegroup": 139
},
{
"id": "jvasp-89976",
"created_at": "2022-09-04T14:37:51.345007Z",
"updated_at": "2022-09-04T14:37:51.345025Z",
"structure_string": "Ti2 Cd1 O6\n1.0\n-0.000089 0.000154 -4.539476\n-2.609460 -4.519611 0.000099\n-2.609367 4.519557 -0.000197\nTi Cd O\n2 1 6\ndirect\n0.500001 0.666662 0.333331 Ti\n0.500001 0.333339 0.666670 Ti\n0.000000 0.000000 0.000000 Cd\n0.273314 0.362779 0.362787 O\n0.273313 0.637222 0.000008 O\n0.273297 0.000000 0.637206 O\n0.726688 0.637222 0.637214 O\n0.726687 0.362779 -0.000008 O\n0.726705 0.000001 0.362795 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"O"
],
"chemical_system": "Cd-O-Ti",
"density": 4.716800973199275,
"density_atomic": 0.08405536196846118,
"volume": 107.0722888966552,
"volume_molar": 7.164493280344919,
"formula_full": "Ti2 Cd1 O6",
"formula_reduced": "Ti2CdO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.412214157407407,
"spacegroup": 162
},
{
"id": "jvasp-18656",
"created_at": "2022-09-04T14:35:57.283740Z",
"updated_at": "2022-09-04T14:35:57.283764Z",
"structure_string": "Ti2 Cd2\n1.0\n2.897617 0.000000 0.000000\n-0.000000 2.897617 0.000000\n0.000000 0.000000 9.024596\nTi Cd\n2 2\ndirect\n0.500001 0.000000 0.391645 Ti\n0.000000 0.500001 0.608356 Ti\n0.500001 0.000000 0.864132 Cd\n0.000000 0.500001 0.135868 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Cd"
],
"chemical_system": "Cd-Ti",
"density": 7.024950633057312,
"density_atomic": 0.05278982961971329,
"volume": 75.77217105671963,
"volume_molar": 11.407766994859088,
"formula_full": "Ti2 Cd2",
"formula_reduced": "TiCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.6113590416666668,
"spacegroup": 129
}
]
}