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=-structure_string&page=643",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=641",
"results": [
{
"id": "jvasp-115828",
"created_at": "2022-09-04T14:38:29.656410Z",
"updated_at": "2022-09-04T14:38:29.656436Z",
"structure_string": "Ti1 Cd1 F1\n1.0\n2.893143 -0.000000 -0.000000\n-0.000000 2.893143 0.000000\n0.000000 0.000000 7.096949\nTi Cd F\n1 1 1\ndirect\n0.000000 0.000000 0.842427 Ti\n0.000000 0.000000 0.444405 Cd\n0.000000 0.000000 0.101360 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"F"
],
"chemical_system": "Cd-F-Ti",
"density": 5.011419323828262,
"density_atomic": 0.05050213867617442,
"volume": 59.40342485763521,
"volume_molar": 11.92452620395874,
"formula_full": "Ti1 Cd1 F1",
"formula_reduced": "TiCdF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3077861342592591,
"spacegroup": 99
},
{
"id": "jvasp-80906",
"created_at": "2022-09-04T14:37:09.836656Z",
"updated_at": "2022-09-04T14:37:09.836680Z",
"structure_string": "Ti1 Cd1 Au2\n1.0\n-10.778183 2.330538 -2.416212\n-7.819351 1.437262 0.982308\n-6.909982 4.008491 -0.592334\nTi Cd Au\n1 1 2\ndirect\n-0.000000 0.000000 -0.000000 Ti\n0.499999 0.000000 0.000001 Cd\n0.702083 0.038302 0.038269 Au\n0.297916 -0.038302 -0.038268 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Ti",
"density": 11.992428537527692,
"density_atomic": 0.05212460579035886,
"volume": 76.73918947392507,
"volume_molar": 11.553355020507176,
"formula_full": "Ti1 Cd1 Au2",
"formula_reduced": "TiCdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6490958058333334,
"spacegroup": 12
},
{
"id": "jvasp-114151",
"created_at": "2022-09-04T14:38:40.483578Z",
"updated_at": "2022-09-04T14:38:40.483604Z",
"structure_string": "Ti1 C2\n1.0\n3.678272 0.000000 0.000000\n-1.839136 3.185477 0.000000\n-0.000000 -0.000000 3.247939\nTi C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666668 0.000000 C\n0.666667 0.333334 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 3.1367632141633903,
"density_atomic": 0.07883064421941491,
"volume": 38.05626643935432,
"volume_molar": 7.63933977659519,
"formula_full": "Ti1 C2",
"formula_reduced": "TiC2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.379399444444444,
"spacegroup": 191
},
{
"id": "jvasp-18916",
"created_at": "2022-09-04T14:36:18.459360Z",
"updated_at": "2022-09-04T14:36:18.459374Z",
"structure_string": "Ti1 C1\n1.0\n2.656819 0.000000 1.533915\n0.885607 2.504873 1.533915\n-0.000000 -0.000000 3.067830\nTi C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.499998 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 4.870070380241876,
"density_atomic": 0.09796050733765166,
"volume": 20.416390792121685,
"volume_molar": 6.147518958066234,
"formula_full": "Ti1 C1",
"formula_reduced": "TiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.821544166666666,
"spacegroup": 225
},
{
"id": "jvasp-5386",
"created_at": "2022-09-04T14:38:13.198055Z",
"updated_at": "2022-09-04T14:38:13.198072Z",
"structure_string": "Ti1 Br2\n1.0\n1.867133 -3.233968 -0.000000\n1.867133 3.233968 0.000000\n0.000000 0.000000 6.354524\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.750557 Br\n0.666666 0.333332 0.249442 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Br"
],
"chemical_system": "Br-Ti",
"density": 4.49375430286474,
"density_atomic": 0.03909284357104976,
"volume": 76.74038841783442,
"volume_molar": 15.40471403430909,
"formula_full": "Ti1 Br2",
"formula_reduced": "TiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7117488477777776,
"spacegroup": 164
},
{
"id": "jvasp-18463",
"created_at": "2022-09-04T14:36:56.957022Z",
"updated_at": "2022-09-04T14:36:56.957038Z",
"structure_string": "Ti1 Br2\n1.0\n1.866824 -3.233433 0.000000\n1.866824 3.233433 -0.000000\n0.000000 0.000000 6.359038\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.750682 Br\n0.666666 0.333332 0.249319 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Br"
],
"chemical_system": "Br-Ti",
"density": 4.492050797903942,
"density_atomic": 0.03907802414647362,
"volume": 76.76949041116549,
"volume_molar": 15.41055591098363,
"formula_full": "Ti1 Br2",
"formula_reduced": "TiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7117455144444442,
"spacegroup": 164
},
{
"id": "jvasp-8322",
"created_at": "2022-09-04T14:37:05.519424Z",
"updated_at": "2022-09-04T14:37:05.519442Z",
"structure_string": "Ti1 Bi2 O6\n1.0\n5.364388 -0.000000 -0.000000\n0.000000 5.364388 -0.000000\n-0.000000 0.000000 4.651859\nTi Bi O\n1 2 6\ndirect\n0.500000 0.500000 0.594650 Ti\n0.500000 0.000000 0.996077 Bi\n0.000000 0.500000 0.996077 Bi\n0.741330 0.741330 0.730494 O\n0.258671 0.741330 0.730494 O\n0.000000 0.000000 0.177809 O\n0.500000 0.500000 0.207500 O\n0.258671 0.258671 0.730494 O\n0.741330 0.258671 0.730494 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 6.969195255046566,
"density_atomic": 0.06723193365804898,
"volume": 133.86495836599403,
"volume_molar": 8.957262467906173,
"formula_full": "Ti1 Bi2 O6",
"formula_reduced": "Ti(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.472165325925926,
"spacegroup": 99
},
{
"id": "jvasp-16908",
"created_at": "2022-09-04T14:36:48.186646Z",
"updated_at": "2022-09-04T14:36:48.186666Z",
"structure_string": "Ti1 Bi2 O6\n1.0\n3.781352 -0.011249 -0.342206\n0.001877 3.745205 -0.005738\n-0.774394 0.004761 8.838001\nTi Bi O\n1 2 6\ndirect\n0.469163 0.496352 0.205409 Ti\n0.068989 0.011108 0.540072 Bi\n0.807822 0.995841 0.945971 Bi\n0.556575 0.495228 0.408250 O\n0.628597 0.005725 0.679031 O\n-0.042299 0.495803 0.151671 O\n0.108929 0.508826 0.684483 O\n0.436304 0.495036 0.915055 O\n0.465927 -0.003917 0.140936 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.513277827197384,
"density_atomic": 0.07248070658758575,
"volume": 124.17097492177994,
"volume_molar": 8.308612103170987,
"formula_full": "Ti1 Bi2 O6",
"formula_reduced": "Ti(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.46250865925926,
"spacegroup": 1
},
{
"id": "jvasp-30537",
"created_at": "2022-09-04T14:37:28.843990Z",
"updated_at": "2022-09-04T14:37:28.844017Z",
"structure_string": "Ti1 Bi2 O6\n1.0\n3.747623 0.469436 -0.125970\n0.486062 3.745249 -0.131911\n-0.301275 -0.283851 9.128252\nTi Bi O\n1 2 6\ndirect\n0.466249 0.466242 0.796332 Ti\n0.031102 0.031159 0.472126 Bi\n0.151320 0.151258 0.097437 Bi\n0.435248 0.435242 0.595535 O\n0.993075 0.497599 0.321448 O\n0.458524 0.968668 0.835637 O\n0.497600 0.993104 0.321437 O\n0.498218 0.498176 0.053524 O\n0.968651 0.458559 0.835641 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.4164054043335526,
"density_atomic": 0.07154617683645567,
"volume": 125.79288507019338,
"volume_molar": 8.417138449991189,
"formula_full": "Ti1 Bi2 O6",
"formula_reduced": "Ti(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.4625931037037043,
"spacegroup": 8
},
{
"id": "jvasp-100331",
"created_at": "2022-09-04T14:36:44.100290Z",
"updated_at": "2022-09-04T14:36:44.100317Z",
"structure_string": "Ti1 Bi2 O4 F2\n1.0\n3.738627 -0.025882 -7.283432\n-0.241338 3.730919 -7.283432\n0.024431 0.025882 8.186887\nTi Bi O F\n1 2 4 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666897 0.666898 0.000001 Bi\n0.333103 0.333103 0.000000 Bi\n0.750000 0.250000 0.500001 O\n0.250000 0.750000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500001 O\n0.871728 0.871729 0.000001 F\n0.128272 0.128272 0.000000 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ti",
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O-Ti",
"density": 8.15914100199921,
"density_atomic": 0.07787991655152741,
"volume": 115.5625275233232,
"volume_molar": 7.732597859186961,
"formula_full": "Ti1 Bi2 O4 F2",
"formula_reduced": "TiBi2(O2F)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.7087234998148149,
"spacegroup": 139
},
{
"id": "jvasp-40834",
"created_at": "2022-09-04T14:37:45.680827Z",
"updated_at": "2022-09-04T14:37:45.680847Z",
"structure_string": "Ti1 Bi1 Rh1\n1.0\n3.883804 -0.000000 2.242316\n1.294601 3.661686 2.242316\n-0.000000 -0.000000 4.484631\nTi Bi Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Bi\n0.499999 0.500001 0.500001 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"Rh"
],
"chemical_system": "Bi-Rh-Ti",
"density": 9.36673604684048,
"density_atomic": 0.04703878936514423,
"volume": 63.777151591044166,
"volume_molar": 12.802499471770863,
"formula_full": "Ti1 Bi1 Rh1",
"formula_reduced": "TiBiRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2410452111111114,
"spacegroup": 216
},
{
"id": "jvasp-105978",
"created_at": "2022-09-04T14:35:43.229113Z",
"updated_at": "2022-09-04T14:35:43.229139Z",
"structure_string": "Ti1 Be4 Nb1\n1.0\n3.960925 -0.000000 2.286841\n1.320308 3.734396 2.286841\n-0.000000 0.000000 4.573682\nTi Be Nb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.625025 0.625024 0.124927 Be\n0.625025 0.124928 0.625023 Be\n0.124928 0.625024 0.625023 Be\n0.625025 0.625024 0.625022 Be\n0.250000 0.250000 0.249999 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Nb"
],
"chemical_system": "Be-Nb-Ti",
"density": 4.3401296918348375,
"density_atomic": 0.08868870151661293,
"volume": 67.65236041792873,
"volume_molar": 6.790200619716988,
"formula_full": "Ti1 Be4 Nb1",
"formula_reduced": "TiBe4Nb",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.056987022222222,
"spacegroup": 216
}
]
}