Navigation

HEAS Data Platform · Materials Science Database

Al8Ga2Co3

Alexandria ALEX

Alex-ID: agm005642430 · Space group: Cmmm (#65)

Basic Information

Formula
Al8Ga2Co3
Alex-ID
agm005642430
Elements
3
Sites
13
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
204.54
ų
Cell a
4.0127
Å
Cell b
8.0232
Å
Cell c
7.5089
Å
α angle
122.21
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al8Ga2Co3
Al
8.00 · 61.5%
Ga
2.00 · 15.4%
Co
3.00 · 23.1%

Energy & Stability

Energy above hull
0.1103
eV/atom
Formation energy
-0.2616
eV/atom
Corrected total energy
-60.7955
eV
Raw total energy
-60.7955
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.6074
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B3C8_146_spg65

Decomposition

Al9Co2 Al5Co2 Ga

Computed at

2023-06-15 12:54:37.549004

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: agm005642430).

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 agm005642430
data_agm005642430
_cell_length_a     4.01267
_cell_length_b     8.02315
_cell_length_c     7.50890
_cell_angle_alpha  122.20850
_cell_angle_beta   89.99978
_cell_angle_gamma  90.00000
_cell_volume       204.54272
_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 0.00000 0.60393 0.20778 1.00000
  Al2 Al 1.00000 0.39607 0.79222 1.00000
  Al3 Al 1.00000 0.11461 0.22961 1.00000
  Al4 Al 0.00000 0.88539 0.77039 1.00000
  Al5 Al 0.50000 0.63623 0.78315 1.00000
  Al6 Al 0.50000 0.14648 0.78215 1.00000
  Al7 Al 0.50000 0.85352 0.21785 1.00000
  Al8 Al 0.50000 0.36377 0.21685 1.00000
  Ga1 Ga 0.49999 0.25267 0.50502 1.00000
  Ga2 Ga 0.50001 0.74733 0.49498 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Co2 Co 0.00000 0.24265 0.99993 1.00000
  Co3 Co 1.00000 0.75735 0.00007 1.00000
Get direct link