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=-created_at&page=1282",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1280",
"results": [
{
"id": "jvasp-44442",
"created_at": "2022-09-04T14:38:05.947193Z",
"updated_at": "2022-09-04T14:38:05.947221Z",
"structure_string": "Li6 Al4 Fe2 O12\n1.0\n5.308021 0.000691 0.024174\n-0.022888 5.783076 0.002908\n-1.120111 -0.106198 7.695421\nLi Al Fe O\n6 4 2 12\ndirect\n0.177718 0.842532 0.094142 Li\n0.346782 0.663161 0.419826 Li\n0.502309 0.833268 0.744375 Li\n0.497691 0.166732 0.255625 Li\n0.653218 0.336839 0.580174 Li\n0.822281 0.157468 0.905858 Li\n0.176089 0.167651 0.588161 Al\n0.657533 0.672544 0.078323 Al\n0.342467 0.327456 0.921677 Al\n0.823910 0.832350 0.411839 Al\n0.007644 0.330065 0.246406 Fe\n0.992355 0.669935 0.753594 Fe\n0.827542 0.816258 0.924841 O\n0.976011 0.666595 0.251333 O\n0.172458 0.183742 0.075159 O\n0.145547 0.850599 0.578904 O\n0.311700 0.323745 0.424702 O\n0.529851 0.829600 0.247068 O\n0.343228 0.644698 0.921861 O\n0.656771 0.355302 0.078139 O\n0.470148 0.170400 0.752932 O\n0.688299 0.676256 0.575298 O\n0.854453 0.149401 0.421096 O\n0.023988 0.333405 0.748667 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.1840260030653877,
"density_atomic": 0.1015304217343314,
"volume": 236.3823530921537,
"volume_molar": 5.931365847920712,
"formula_full": "Li6 Al4 Fe2 O12",
"formula_reduced": "Li3Al2FeO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.164668508333333,
"spacegroup": 2
},
{
"id": "jvasp-40169",
"created_at": "2022-09-04T14:38:05.945948Z",
"updated_at": "2022-09-04T14:38:05.945965Z",
"structure_string": "Ac1 Cr1 O3\n1.0\n3.953812 0.000000 0.000000\n0.000000 3.953812 0.000000\n-0.000000 -0.000000 3.953812\nAc Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ac",
"Cr",
"O"
],
"chemical_system": "Ac-Cr-O",
"density": 8.784989247092067,
"density_atomic": 0.08089505205344175,
"volume": 61.80847744181989,
"volume_molar": 7.4443870263184815,
"formula_full": "Ac1 Cr1 O3",
"formula_reduced": "AcCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.12207558,
"spacegroup": 221
},
{
"id": "jvasp-13919",
"created_at": "2022-09-04T14:38:05.945412Z",
"updated_at": "2022-09-04T14:38:05.945443Z",
"structure_string": "Li1 Sn1 S2\n1.0\n1.887982 -3.270081 -0.000000\n1.887982 3.270081 0.000000\n0.000000 0.000000 6.448902\nLi Sn S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Sn\n0.333332 0.666666 0.740138 S\n0.666666 0.333332 0.259862 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"S"
],
"chemical_system": "Li-S-Sn",
"density": 3.9575799353550316,
"density_atomic": 0.05023285460166384,
"volume": 79.62915967486168,
"volume_molar": 11.988450204063323,
"formula_full": "Li1 Sn1 S2",
"formula_reduced": "LiSnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.026052925,
"spacegroup": 164
},
{
"id": "jvasp-18270",
"created_at": "2022-09-04T14:38:05.941371Z",
"updated_at": "2022-09-04T14:38:05.941394Z",
"structure_string": "Ce2 Cu2 Sn2\n1.0\n2.303582 -3.989922 -0.000000\n2.303582 3.989922 -0.000000\n0.000000 0.000000 7.533355\nCe Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.512136 Ce\n0.000000 0.000000 0.012136 Ce\n0.666667 0.333333 0.205732 Cu\n0.333333 0.666667 0.705732 Cu\n0.333333 0.666667 0.274530 Sn\n0.666667 0.333333 0.774530 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Sn"
],
"chemical_system": "Ce-Cu-Sn",
"density": 7.731253180025221,
"density_atomic": 0.043327610571699024,
"volume": 138.4798266239753,
"volume_molar": 13.899083472499582,
"formula_full": "Ce2 Cu2 Sn2",
"formula_reduced": "CeCuSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4816792166666668,
"spacegroup": 186
},
{
"id": "jvasp-59024",
"created_at": "2022-09-04T14:38:05.940862Z",
"updated_at": "2022-09-04T14:38:05.940889Z",
"structure_string": "Ca12 Al4 N12\n1.0\n0.000000 6.875554 -0.004313\n6.113921 0.000000 0.000000\n0.000000 -0.642611 -9.782256\nCa Al N\n12 4 12\ndirect\n0.646186 0.782382 0.694557 Ca\n0.353813 0.282382 0.805443 Ca\n0.353813 0.217618 0.305443 Ca\n0.646186 0.717618 0.194557 Ca\n0.372726 0.793528 0.923549 Ca\n0.627273 0.293528 0.576452 Ca\n0.627273 0.206472 0.076451 Ca\n0.372726 0.706472 0.423548 Ca\n0.075924 0.640989 0.650090 Ca\n0.924075 0.140989 0.849910 Ca\n0.924075 0.359011 0.349910 Ca\n0.075924 0.859011 0.150090 Ca\n0.839853 0.591389 0.939264 Al\n0.160146 0.091390 0.560736 Al\n0.160146 0.408610 0.060736 Al\n0.839853 0.908610 0.439264 Al\n0.339358 0.568418 0.177252 N\n0.660641 0.068418 0.322748 N\n0.660641 0.431582 0.822748 N\n0.339359 0.931582 0.677252 N\n0.740761 0.622731 0.470932 N\n0.259239 0.122731 0.029068 N\n0.259239 0.377269 0.529068 N\n0.740761 0.877269 0.970932 N\n0.104143 0.538111 0.882213 N\n0.895856 0.038111 0.617787 N\n0.895856 0.461889 0.117787 N\n0.104143 0.961889 0.382213 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-N",
"density": 3.0565223707496734,
"density_atomic": 0.06808847248170043,
"volume": 411.22966897994854,
"volume_molar": 8.844581968876629,
"formula_full": "Ca12 Al4 N12",
"formula_reduced": "Ca3AlN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.402783401428571,
"spacegroup": 14
},
{
"id": "jvasp-37907",
"created_at": "2022-09-04T14:38:05.937547Z",
"updated_at": "2022-09-04T14:38:05.937564Z",
"structure_string": "Ba2 Ag1 Sb1\n1.0\n0.000000 4.157866 4.157866\n4.157866 0.000000 4.157866\n4.157866 4.157866 0.000000\nBa Ag Sb\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ba\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Ag\n0.750001 0.750001 0.750001 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ba-Sb",
"density": 5.8248034381817035,
"density_atomic": 0.02782393367537804,
"volume": 143.76112474490552,
"volume_molar": 21.643743225743503,
"formula_full": "Ba2 Ag1 Sb1",
"formula_reduced": "Ba2AgSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.007451325,
"spacegroup": 225
},
{
"id": "jvasp-38628",
"created_at": "2022-09-04T14:38:05.923209Z",
"updated_at": "2022-09-04T14:38:05.923233Z",
"structure_string": "Ni1 Ge3\n1.0\n-2.092008 2.092008 3.808691\n2.092008 -2.092008 3.808691\n2.092008 2.092008 -3.808691\nNi Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.499999 0.499999 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni",
"density": 6.8890589230890065,
"density_atomic": 0.05999258539624327,
"volume": 66.67490613349162,
"volume_molar": 10.038141747391848,
"formula_full": "Ni1 Ge3",
"formula_reduced": "NiGe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9333275625,
"spacegroup": 139
},
{
"id": "jvasp-34409",
"created_at": "2022-09-04T14:38:05.919336Z",
"updated_at": "2022-09-04T14:38:05.919352Z",
"structure_string": "Yb8 Cl12 O2\n1.0\n4.440533 -7.691228 -0.000000\n4.440533 7.691228 0.000000\n0.000000 0.000000 6.698765\nYb Cl O\n8 12 2\ndirect\n0.333333 0.666667 0.569925 Yb\n0.396297 0.198148 0.498403 Yb\n0.603702 0.801851 0.998403 Yb\n0.198148 0.801851 0.998403 Yb\n0.198148 0.396297 0.998403 Yb\n0.801851 0.603702 0.498403 Yb\n0.801851 0.198148 0.498403 Yb\n0.666667 0.333333 0.069925 Yb\n0.725188 0.862594 0.611211 Cl\n0.137406 0.274811 0.611211 Cl\n0.137405 0.862594 0.611211 Cl\n0.274811 0.137406 0.111210 Cl\n0.069580 0.534790 0.288562 Cl\n0.930419 0.465209 0.788562 Cl\n0.534790 0.465209 0.788562 Cl\n0.862594 0.137405 0.111210 Cl\n0.465209 0.930419 0.288562 Cl\n0.862594 0.725188 0.111210 Cl\n0.465209 0.534790 0.288562 Cl\n0.534790 0.069580 0.788562 Cl\n0.333333 0.666667 0.894054 O\n0.666667 0.333333 0.394054 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Yb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Yb",
"density": 6.683829794398065,
"density_atomic": 0.0480802984597326,
"volume": 457.56787509181265,
"volume_molar": 12.525173413895425,
"formula_full": "Yb8 Cl12 O2",
"formula_reduced": "Yb4Cl6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-45259",
"created_at": "2022-09-04T14:38:05.908439Z",
"updated_at": "2022-09-04T14:38:05.908459Z",
"structure_string": "Na2 Sr6 Sb2 O12\n1.0\n6.879738 -0.004854 -0.141887\n-0.144743 6.878217 -0.141887\n-0.004756 -0.004854 6.881200\nNa Sr Sb O\n2 6 2 12\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.898711 0.250001 0.601289 Sr\n0.398710 0.101290 0.750000 Sr\n0.750000 0.398711 0.101289 Sr\n0.101290 0.750001 0.398710 Sr\n0.601290 0.898712 0.249999 Sr\n0.250000 0.601290 0.898710 Sr\n0.500000 0.500001 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.074910 0.280790 0.945473 O\n0.780790 0.574911 0.445473 O\n0.554527 0.219211 0.425090 O\n0.425090 0.554527 0.219210 O\n0.219211 0.425091 0.554526 O\n0.719210 0.054528 0.925090 O\n0.925091 0.719212 0.054526 O\n0.054527 0.925091 0.719210 O\n0.445474 0.780790 0.574910 O\n0.574910 0.445474 0.780789 O\n0.945474 0.074911 0.280789 O\n0.280790 0.945474 0.074910 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Sb",
"O"
],
"chemical_system": "Na-O-Sb-Sr",
"density": 5.136618097716867,
"density_atomic": 0.06756625121710179,
"volume": 325.6063434585157,
"volume_molar": 8.912941966618575,
"formula_full": "Na2 Sr6 Sb2 O12",
"formula_reduced": "NaSr3SbO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.269331366363636,
"spacegroup": 167
},
{
"id": "jvasp-38402",
"created_at": "2022-09-04T14:38:05.906832Z",
"updated_at": "2022-09-04T14:38:05.906848Z",
"structure_string": "Pr2 S6\n1.0\n2.910325 -5.040831 0.000000\n2.910325 5.040831 -0.000000\n-0.000000 -0.000000 5.650628\nPr S\n2 6\ndirect\n0.333334 0.666668 0.750000 Pr\n0.666668 0.333334 0.250000 Pr\n0.175717 0.351435 0.250000 S\n0.648567 0.824285 0.250000 S\n0.175718 0.824284 0.250000 S\n0.824285 0.648567 0.750000 S\n0.351435 0.175717 0.750000 S\n0.824284 0.175718 0.750000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"S"
],
"chemical_system": "Pr-S",
"density": 4.7494701318322665,
"density_atomic": 0.04825248082076502,
"volume": 165.79458431818645,
"volume_molar": 12.480479050122593,
"formula_full": "Pr2 S6",
"formula_reduced": "PrS3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5910649625,
"spacegroup": 194
},
{
"id": "jvasp-14056",
"created_at": "2022-09-04T14:38:05.903950Z",
"updated_at": "2022-09-04T14:38:05.903974Z",
"structure_string": "K4 Au4 Se20\n1.0\n7.882562 -0.000000 3.410833\n2.497019 9.398822 5.043159\n-0.060868 0.030699 10.954532\nK Au Se\n4 4 20\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.250000 0.881076 0.618924 Au\n0.250000 0.618924 0.881076 Au\n0.750000 0.381076 0.118924 Au\n0.750000 0.118924 0.381076 Au\n0.560504 0.778714 0.522599 Se\n0.439495 0.221285 0.477401 Se\n0.638182 0.278714 0.022599 Se\n0.938547 0.352423 0.647576 Se\n0.438547 0.147577 0.852423 Se\n0.561452 0.852423 0.147576 Se\n0.061452 0.647576 0.352423 Se\n0.842573 0.718155 0.053811 Se\n0.114539 0.781845 0.446189 Se\n0.657427 0.446189 0.781844 Se\n0.385460 0.053811 0.718155 Se\n0.157427 0.281845 0.946189 Se\n0.885460 0.218156 0.553811 Se\n0.060504 0.022599 0.278715 Se\n0.614539 0.946188 0.281845 Se\n0.138182 0.522599 0.778714 Se\n0.939495 0.977401 0.721285 Se\n0.361817 0.721285 0.977401 Se\n0.861817 0.477401 0.221285 Se\n0.342573 0.553811 0.218156 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Au",
"Se"
],
"chemical_system": "Au-K-Se",
"density": 5.156797395284953,
"density_atomic": 0.034458206385173586,
"volume": 812.5785679909221,
"volume_molar": 17.476651839287726,
"formula_full": "K4 Au4 Se20",
"formula_reduced": "KAuSe5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.0312347098412695,
"spacegroup": 72
},
{
"id": "jvasp-40455",
"created_at": "2022-09-04T14:38:05.903838Z",
"updated_at": "2022-09-04T14:38:05.903857Z",
"structure_string": "Th1 Cd1 Ag2\n1.0\n-0.000002 3.571271 3.571272\n3.571270 0.000003 3.571267\n3.571271 3.571268 0.000001\nTh Cd Ag\n1 1 2\ndirect\n0.750001 0.750000 0.749999 Th\n0.250000 0.250000 0.250001 Cd\n0.000000 0.000000 0.000000 Ag\n0.499999 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Th",
"density": 10.2113475929096,
"density_atomic": 0.04390986697515488,
"volume": 91.09569842840297,
"volume_molar": 13.714777964158838,
"formula_full": "Th1 Cd1 Ag2",
"formula_reduced": "ThCdAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1849349675,
"spacegroup": 225
}
]
}