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Al5Ga2W

Alexandria ALEX

Alex-ID: agm003470943 · Space group: Cm (#8)

Basic Information

Formula
Al5Ga2W
Alex-ID
agm003470943
Elements
3
Sites
8
Space group
Cm (#8)
Crystal system
monoclinic
Volume
126.99
ų
Cell a
6.7731
Å
Cell b
5.5556
Å
Cell c
5.6906
Å
α angle
119.40
°
β angle
129.73
°
γ angle
89.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al5Ga2W
Al
5.00 · 62.5%
Ga
2.00 · 25.0%
W
1.00 · 12.5%

Energy & Stability

Energy above hull
0.1116
eV/atom
Formation energy
-0.0090
eV/atom
Corrected total energy
-37.8119
eV
Raw total energy
-37.8119
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.8373
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_421_spg107

Decomposition

Al5W Ga

Computed at

2022-03-23 11:17:08.035545

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: agm003470943).

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 agm003470943
data_agm003470943
_cell_length_a     6.77312
_cell_length_b     5.55561
_cell_length_c     5.69059
_cell_angle_alpha  119.40197
_cell_angle_beta   129.73339
_cell_angle_gamma  89.88017
_cell_volume       126.98766
_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 0.72350 0.27178 0.03811 1.00000
  Al2 Al 0.22285 0.19104 0.86398 1.00000
  Al3 Al 0.72370 0.76583 0.03756 1.00000
  Al4 Al 0.22244 0.67240 0.86422 1.00000
  Al5 Al 0.74945 0.77854 0.55517 1.00000
  Ga1 Ga 0.22739 0.67109 0.34318 1.00000
  Ga2 Ga 0.69105 0.24339 0.48579 1.00000
  W1 W 0.21662 0.18292 0.36600 1.00000
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