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La4Co2Ag5

Alexandria ALEX

Alex-ID: agm005658677 · Space group: P2/m (#10)

Basic Information

Formula
La4Co2Ag5
Alex-ID
agm005658677
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
263.13
ų
Cell a
3.9425
Å
Cell b
7.5324
Å
Cell c
8.8856
Å
α angle
94.29
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La4Co2Ag5
La
4.00 · 36.4%
Co
2.00 · 18.2%
Ag
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0419
eV/atom
Formation energy
-0.1899
eV/atom
Corrected total energy
-50.3029
eV
Raw total energy
-50.3029
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0029
eV
DOS at Fermi level
7.0158
Total magnetisation
0.0994
μB

Additional Information

Prototype ID

A2B4C5_24_spg10

Decomposition

LaCo LaAg2 Co

Computed at

2023-06-21 12:01:11.177176

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: agm005658677).

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 agm005658677
data_agm005658677
_cell_length_a     3.94250
_cell_length_b     7.53239
_cell_length_c     8.88559
_cell_angle_alpha  94.29493
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       263.12968
_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 0.50000 0.22657 0.41585 1.00000
  La2 La 0.50000 0.80751 0.16043 1.00000
  La3 La 0.50000 0.77343 0.58415 1.00000
  La4 La 0.50000 0.19249 0.83957 1.00000
  Co1 Co 0.00000 0.94229 0.37145 1.00000
  Co2 Co 0.00000 0.05771 0.62855 1.00000
  Ag1 Ag 0.00000 0.44595 0.66321 1.00000
  Ag2 Ag 0.00000 0.83969 0.86967 1.00000
  Ag3 Ag 0.00000 0.50000 0.00000 1.00000
  Ag4 Ag 0.00000 0.16031 0.13033 1.00000
  Ag5 Ag 0.00000 0.55405 0.33679 1.00000
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