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Al2Co

Alexandria ALEX

Alex-ID: agm005437276 · Space group: C2/m (#12)

Basic Information

Formula
Al2Co
Alex-ID
agm005437276
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
81.40
ų
Cell a
4.8050
Å
Cell b
4.8050
Å
Cell c
6.8877
Å
α angle
64.45
°
β angle
64.45
°
γ angle
35.02
°

Composition

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

Energy & Stability

Energy above hull
0.1188
eV/atom
Formation energy
-0.3673
eV/atom
Corrected total energy
-31.4338
eV
Raw total energy
-31.4338
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0771
eV
DOS at Fermi level
2.8830
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_67_spg12

Decomposition

Al5Co2 AlCo

Computed at

2023-03-18 03:56:06.023717

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: agm005437276).

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 agm005437276
data_agm005437276
_cell_length_a     4.80501
_cell_length_b     4.80501
_cell_length_c     6.88766
_cell_angle_alpha  64.45252
_cell_angle_beta   64.45252
_cell_angle_gamma  35.02097
_cell_volume       81.39534
_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 0.09907 0.09907 0.62987 1.00000
  Al2 Al 0.34340 0.34340 0.05804 1.00000
  Al3 Al 0.65660 0.65660 0.94196 1.00000
  Al4 Al 0.90093 0.90093 0.37013 1.00000
  Co1 Co 0.63757 0.63757 0.31888 1.00000
  Co2 Co 0.36243 0.36243 0.68112 1.00000
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