Navigation

HEAS Data Platform · Materials Science Database

Al2Co

Alexandria ALEX

Alex-ID: agm005437240 · Space group: Cm (#8)

Basic Information

Formula
Al2Co
Alex-ID
agm005437240
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
80.58
ų
Cell a
4.9039
Å
Cell b
4.9039
Å
Cell c
6.2082
Å
α angle
81.05
°
β angle
81.05
°
γ angle
33.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al2Co
Al
4.00 · 66.7%
Co
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1859
eV/atom
Formation energy
-0.3002
eV/atom
Corrected total energy
-31.0312
eV
Raw total energy
-31.0312
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1130
eV
DOS at Fermi level
3.8321
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_1946_spg8

Decomposition

Al5Co2 AlCo

Computed at

2023-03-18 03:57:07.445985

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: agm005437240).

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 agm005437240
data_agm005437240
_cell_length_a     4.90388
_cell_length_b     4.90388
_cell_length_c     6.20821
_cell_angle_alpha  81.05234
_cell_angle_beta   81.05234
_cell_angle_gamma  33.15894
_cell_volume       80.57657
_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
  Al1 Al 0.03101 0.03101 0.03545 1.00000
  Al2 Al 0.66046 0.66046 0.64912 1.00000
  Al3 Al 0.31637 0.31637 0.30686 1.00000
  Al4 Al 0.38630 0.38630 0.73331 1.00000
  Co1 Co 0.02599 0.02599 0.42855 1.00000
  Co2 Co 0.74655 0.74655 0.01337 1.00000
Get direct link