Navigation

HEAS Data Platform · Materials Science Database

La12Co6Ag

Alexandria ALEX

Alex-ID: agm006129381 · Space group: Im-3 (#204)

Basic Information

Formula
La12Co6Ag
Alex-ID
agm006129381
Elements
3
Sites
19
Space group
Im-3 (#204)
Crystal system
cubic
Volume
518.83
ų
Cell a
8.7676
Å
Cell b
8.7676
Å
Cell c
8.7676
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La12Co6Ag
La
12.00 · 63.2%
Co
6.00 · 31.6%
Ag
1.00 · 5.3%

Energy & Stability

Energy above hull
0.0056
eV/atom
Formation energy
-0.1335
eV/atom
Corrected total energy
-107.2597
eV
Raw total energy
-107.2597
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.0306
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C12_0_spg204

Decomposition

La3CoAg LaCo La7Co3

Computed at

2023-08-25 16:23:30.921387

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129381).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm006129381
data_agm006129381
_cell_length_a     8.76762
_cell_length_b     8.76762
_cell_length_c     8.76762
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       518.82808
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  La1 La 0.31209 0.12185 0.80976 1.00000
  La2 La 0.31209 0.50232 0.19024 1.00000
  La3 La 0.68791 0.49768 0.80976 1.00000
  La4 La 0.68791 0.87815 0.19024 1.00000
  La5 La 0.12185 0.80976 0.31209 1.00000
  La6 La 0.50232 0.19024 0.31209 1.00000
  La7 La 0.49768 0.80976 0.68791 1.00000
  La8 La 0.87815 0.19024 0.68791 1.00000
  La9 La 0.80976 0.31209 0.12185 1.00000
  La10 La 0.19024 0.31209 0.50232 1.00000
  La11 La 0.80976 0.68791 0.49768 1.00000
  La12 La 0.19024 0.68791 0.87815 1.00000
  Co1 Co 0.37898 0.50000 0.87898 1.00000
  Co2 Co 0.62102 0.50000 0.12102 1.00000
  Co3 Co 0.50000 0.87898 0.37898 1.00000
  Co4 Co 0.50000 0.12102 0.62102 1.00000
  Co5 Co 0.87898 0.37898 0.50000 1.00000
  Co6 Co 0.12102 0.62102 0.50000 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Get direct link