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=1246",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=1244",
"results": [
{
"id": "jvasp-68936",
"created_at": "2022-09-04T14:36:06.909673Z",
"updated_at": "2022-09-04T14:36:06.909700Z",
"structure_string": "Ba2 Ca1 Mo1\n1.0\n0.000000 4.176562 4.176562\n4.176562 0.000000 4.176562\n4.176562 4.176562 0.000000\nBa Ca Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mo"
],
"chemical_system": "Ba-Ca-Mo",
"density": 4.680124397100625,
"density_atomic": 0.027451949880576244,
"volume": 145.70913969321424,
"volume_molar": 21.937023731275985,
"formula_full": "Ba2 Ca1 Mo1",
"formula_reduced": "Ba2CaMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4681845649999998,
"spacegroup": 225
},
{
"id": "jvasp-64626",
"created_at": "2022-09-04T14:36:05.896435Z",
"updated_at": "2022-09-04T14:36:05.896468Z",
"structure_string": "Ba4 Ca1 Mo1\n1.0\n0.000000 4.987160 4.987160\n4.987160 -0.000000 4.987160\n4.987160 4.987160 -0.000000\nBa Ca Mo\n4 1 1\ndirect\n0.119594 0.626802 0.626802 Ba\n0.626802 0.626802 0.626802 Ba\n0.626802 0.119594 0.626802 Ba\n0.626802 0.626802 0.119594 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mo"
],
"chemical_system": "Ba-Ca-Mo",
"density": 4.587292207880256,
"density_atomic": 0.024185849705967204,
"volume": 248.07894173425143,
"volume_molar": 24.899438445258344,
"formula_full": "Ba4 Ca1 Mo1",
"formula_reduced": "Ba4CaMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.030580033333333,
"spacegroup": 216
},
{
"id": "jvasp-113459",
"created_at": "2022-09-04T14:38:44.982104Z",
"updated_at": "2022-09-04T14:38:44.982134Z",
"structure_string": "Ba1 Ca2 N2\n1.0\n4.063897 -0.000000 -0.000000\n-2.031949 3.519438 -0.000000\n-0.000000 -0.000000 7.008402\nBa Ca N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333334 0.666667 0.862085 Ca\n0.666667 0.333334 0.137914 Ca\n0.333334 0.666667 0.226383 N\n0.666667 0.333334 0.773616 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"N"
],
"chemical_system": "Ba-Ca-N",
"density": 4.066859880342716,
"density_atomic": 0.049880981267106626,
"volume": 100.23860543612011,
"volume_molar": 12.07301983044833,
"formula_full": "Ba1 Ca2 N2",
"formula_reduced": "BaCa2N2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.792556662,
"spacegroup": 164
},
{
"id": "jvasp-99409",
"created_at": "2022-09-04T14:36:36.280458Z",
"updated_at": "2022-09-04T14:36:36.280469Z",
"structure_string": "Ba4 Ca2 N4\n1.0\n3.649375 -0.000000 0.000000\n0.000000 5.945102 0.000000\n-0.000000 -0.000000 11.294711\nBa Ca N\n4 2 4\ndirect\n0.228611 0.250000 0.931976 Ba\n0.228611 0.250000 0.568024 Ba\n0.771390 0.750000 0.068024 Ba\n0.771390 0.750000 0.431976 Ba\n0.224690 0.250000 0.250000 Ca\n0.775312 0.750000 0.750000 Ca\n0.710407 0.250000 0.403112 N\n0.710407 0.250000 0.096888 N\n0.289595 0.750000 0.596888 N\n0.289595 0.750000 0.903112 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"N"
],
"chemical_system": "Ba-Ca-N",
"density": 4.645129244173577,
"density_atomic": 0.040808165720783975,
"volume": 245.0489950570581,
"volume_molar": 14.757195413301483,
"formula_full": "Ba4 Ca2 N4",
"formula_reduced": "Ba2CaN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.882243772,
"spacegroup": 59
},
{
"id": "jvasp-64205",
"created_at": "2022-09-04T14:35:58.778345Z",
"updated_at": "2022-09-04T14:35:58.778365Z",
"structure_string": "Ba4 Ca1 Nb1\n1.0\n-0.000000 5.154241 5.154241\n5.154241 0.000000 5.154241\n5.154241 5.154241 0.000000\nBa Ca Nb\n4 1 1\ndirect\n0.121382 0.626206 0.626206 Ba\n0.626206 0.626206 0.626206 Ba\n0.626206 0.121382 0.626206 Ba\n0.626206 0.626206 0.121382 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Nb"
],
"chemical_system": "Ba-Ca-Nb",
"density": 4.137094669602325,
"density_atomic": 0.021909228808682308,
"volume": 273.8571974574608,
"volume_molar": 27.486776520465725,
"formula_full": "Ba4 Ca1 Nb1",
"formula_reduced": "Ba4CaNb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8952989499999999,
"spacegroup": 216
},
{
"id": "jvasp-65624",
"created_at": "2022-09-04T14:36:06.862292Z",
"updated_at": "2022-09-04T14:36:06.862311Z",
"structure_string": "Ba2 Ca1 Ni1\n1.0\n-0.000000 4.148434 4.148434\n4.148434 -0.000000 4.148434\n4.148434 4.148434 -0.000000\nBa Ca Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ni"
],
"chemical_system": "Ba-Ca-Ni",
"density": 4.342805724253809,
"density_atomic": 0.02801414941118424,
"volume": 142.7849884459836,
"volume_molar": 21.49678247091717,
"formula_full": "Ba2 Ca1 Ni1",
"formula_reduced": "Ba2CaNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.11015119,
"spacegroup": 225
},
{
"id": "jvasp-91631",
"created_at": "2022-09-04T14:36:08.297185Z",
"updated_at": "2022-09-04T14:36:08.297204Z",
"structure_string": "Ba3 Ca1 O4\n1.0\n5.447673 -0.000000 -0.000000\n-0.000000 5.447673 0.000000\n0.000000 0.000000 5.447673\nBa Ca O\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"O"
],
"chemical_system": "Ba-Ca-O",
"density": 5.300457316131695,
"density_atomic": 0.049483099429245225,
"volume": 161.67136036898862,
"volume_molar": 12.170096112534189,
"formula_full": "Ba3 Ca1 O4",
"formula_reduced": "Ba3CaO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8912090412499999,
"spacegroup": 221
},
{
"id": "jvasp-35745",
"created_at": "2022-09-04T14:37:27.840575Z",
"updated_at": "2022-09-04T14:37:27.840594Z",
"structure_string": "Ba1 Ca1 O2\n1.0\n3.739837 0.000000 -0.000000\n0.000000 3.739837 -0.000000\n0.000000 0.000000 5.268300\nBa Ca O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"O"
],
"chemical_system": "Ba-Ca-O",
"density": 4.719085113295941,
"density_atomic": 0.054285537932950025,
"volume": 73.68444989788146,
"volume_molar": 11.093453227705245,
"formula_full": "Ba1 Ca1 O2",
"formula_reduced": "BaCaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3358183475,
"spacegroup": 123
},
{
"id": "jvasp-35120",
"created_at": "2022-09-04T14:37:41.300275Z",
"updated_at": "2022-09-04T14:37:41.300292Z",
"structure_string": "Ba1 Ca3 O4\n1.0\n5.079711 -0.000000 -0.000000\n0.000000 5.079711 0.000000\n-0.000000 0.000000 5.079711\nBa Ca O\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"O"
],
"chemical_system": "Ba-Ca-O",
"density": 4.073729730896146,
"density_atomic": 0.06103416015900416,
"volume": 131.0741391240359,
"volume_molar": 9.866836447509591,
"formula_full": "Ba1 Ca3 O4",
"formula_reduced": "BaCa3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8100526537499998,
"spacegroup": 221
},
{
"id": "jvasp-64016",
"created_at": "2022-09-04T14:35:52.985180Z",
"updated_at": "2022-09-04T14:35:52.985200Z",
"structure_string": "Ba4 Ca1 Os1\n1.0\n-0.000000 4.884609 4.884609\n4.884609 -0.000000 4.884609\n4.884609 4.884609 0.000000\nBa Ca Os\n4 1 1\ndirect\n0.118865 0.627045 0.627045 Ba\n0.627045 0.627045 0.627045 Ba\n0.627045 0.118865 0.627045 Ba\n0.627045 0.627045 0.118865 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Os"
],
"chemical_system": "Ba-Ca-Os",
"density": 5.554058238674471,
"density_atomic": 0.02574138076752711,
"volume": 233.08772960497257,
"volume_molar": 23.394785285166066,
"formula_full": "Ba4 Ca1 Os1",
"formula_reduced": "Ba4CaOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0187332166666667,
"spacegroup": 216
},
{
"id": "jvasp-64531",
"created_at": "2022-09-04T14:35:54.861489Z",
"updated_at": "2022-09-04T14:35:54.861514Z",
"structure_string": "Ba4 Ca1 P1\n1.0\n-0.000000 5.104082 5.104082\n5.104082 0.000000 5.104082\n5.104082 5.104082 -0.000000\nBa Ca P\n4 1 1\ndirect\n0.118519 0.627160 0.627160 Ba\n0.627160 0.627160 0.627160 Ba\n0.627160 0.118519 0.627160 Ba\n0.627160 0.627160 0.118519 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"P"
],
"chemical_system": "Ba-Ca-P",
"density": 3.8735555956931544,
"density_atomic": 0.022561518469675836,
"volume": 265.9395469353889,
"volume_molar": 26.692089754925643,
"formula_full": "Ba4 Ca1 P1",
"formula_reduced": "Ba4CaP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3502933,
"spacegroup": 216
},
{
"id": "jvasp-66259",
"created_at": "2022-09-04T14:36:00.773190Z",
"updated_at": "2022-09-04T14:36:00.773219Z",
"structure_string": "Ba1 Ca1 Pb1\n1.0\n0.000000 3.956086 3.956086\n3.956086 -0.000000 3.956086\n3.956086 3.956086 0.000000\nBa Ca Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.500001 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Pb"
],
"chemical_system": "Ba-Ca-Pb",
"density": 5.157471724965674,
"density_atomic": 0.02422669026991066,
"volume": 123.83036917452873,
"volume_molar": 24.857463784392568,
"formula_full": "Ba1 Ca1 Pb1",
"formula_reduced": "BaCaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}