Al25GaCo7
Alexandria ALEXAlex-ID: agm024429395 · Space group: Fm-3 (#202)
Basic Information
Formula
Al25GaCo7
Alex-ID
agm024429395
Elements
3
Sites
66
Space group
Fm-3 (#202)
Crystal system
cubic
Volume
932.95
ų
Cell a
10.9679
Å
Cell b
10.9679
Å
Cell c
10.9679
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Al25GaCo7
Al
50.00 · 75.8%
Ga
2.00 · 3.0%
Co
14.00 · 21.2%
Energy & Stability
Energy above hull
0.0612
eV/atom
Formation energy
-0.3013
eV/atom
Corrected total energy
-312.9576
eV
Raw total energy
-312.9575
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0801
eV
DOS at Fermi level
26.7621
Total magnetisation
0.0001
μB
Additional Information
Prototype ID
AB7C25_0_spg202
Decomposition
Al9Co2 Al5Co2 Ga
Computed at
2024-08-25 01:14:25.135921
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: agm024429395).
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
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm024429395
data_agm024429395
_cell_length_a 10.96793
_cell_length_b 10.96793
_cell_length_c 10.96793
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 932.95228
_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 0.28876 0.28876 0.71124 1.00000
Al2 Al 0.71124 0.71124 0.28876 1.00000
Al3 Al 0.71124 0.28876 0.28876 1.00000
Al4 Al 0.28876 0.71124 0.71124 1.00000
Al5 Al 0.71124 0.28876 0.71124 1.00000
Al6 Al 0.28876 0.71124 0.28876 1.00000
Al7 Al 0.94913 0.05087 0.77158 1.00000
Al8 Al 0.05087 0.94913 0.22842 1.00000
Al9 Al 0.77158 0.22842 0.94913 1.00000
Al10 Al 0.22842 0.77158 0.05087 1.00000
Al11 Al 0.22842 0.05087 0.94913 1.00000
Al12 Al 0.77158 0.94913 0.05087 1.00000
Al13 Al 0.05087 0.22842 0.77158 1.00000
Al14 Al 0.94913 0.77158 0.22842 1.00000
Al15 Al 0.77158 0.05087 0.22842 1.00000
Al16 Al 0.22842 0.94913 0.77158 1.00000
Al17 Al 0.05087 0.77158 0.94913 1.00000
Al18 Al 0.94913 0.22842 0.05087 1.00000
Al19 Al 0.81772 0.99114 0.49282 1.00000
Al20 Al 0.18228 0.00886 0.50718 1.00000
Al21 Al 0.49282 0.69831 0.81772 1.00000
Al22 Al 0.69831 0.49282 0.99114 1.00000
Al23 Al 0.69831 0.99114 0.81772 1.00000
Al24 Al 0.50718 0.30169 0.18228 1.00000
Al25 Al 0.30169 0.50718 0.00886 1.00000
Al26 Al 0.30169 0.00886 0.18228 1.00000
Al27 Al 0.99114 0.81772 0.69831 1.00000
Al28 Al 0.99114 0.69831 0.49282 1.00000
Al29 Al 0.00886 0.18228 0.30169 1.00000
Al30 Al 0.00886 0.30169 0.50718 1.00000
Al31 Al 0.81772 0.49282 0.69831 1.00000
Al32 Al 0.18228 0.50718 0.30169 1.00000
Al33 Al 0.49282 0.81772 0.99114 1.00000
Al34 Al 0.50718 0.18228 0.00886 1.00000
Al35 Al 0.49282 0.99114 0.69831 1.00000
Al36 Al 0.50718 0.00886 0.30169 1.00000
Al37 Al 0.99114 0.49282 0.81772 1.00000
Al38 Al 0.00886 0.50718 0.18228 1.00000
Al39 Al 0.69831 0.81772 0.49282 1.00000
Al40 Al 0.30169 0.18228 0.50718 1.00000
Al41 Al 0.81772 0.69831 0.99114 1.00000
Al42 Al 0.18228 0.30169 0.00886 1.00000
Al43 Al 0.59269 0.22192 0.59269 1.00000
Al44 Al 0.40731 0.77808 0.40731 1.00000
Al45 Al 0.59269 0.59269 0.59269 1.00000
Al46 Al 0.59269 0.59269 0.22192 1.00000
Al47 Al 0.40731 0.40731 0.40731 1.00000
Al48 Al 0.40731 0.40731 0.77808 1.00000
Al49 Al 0.22192 0.59269 0.59269 1.00000
Al50 Al 0.77808 0.40731 0.40731 1.00000
Ga1 Ga 0.75000 0.75000 0.75000 1.00000
Ga2 Ga 0.25000 0.25000 0.25000 1.00000
Co1 Co 0.87877 0.12123 0.56970 1.00000
Co2 Co 0.12123 0.87877 0.43030 1.00000
Co3 Co 0.56970 0.43030 0.87877 1.00000
Co4 Co 0.43030 0.56970 0.12123 1.00000
Co5 Co 0.43030 0.12123 0.87877 1.00000
Co6 Co 0.56970 0.87877 0.12123 1.00000
Co7 Co 0.12123 0.43030 0.56970 1.00000
Co8 Co 0.87877 0.56970 0.43030 1.00000
Co9 Co 0.56970 0.12123 0.43030 1.00000
Co10 Co 0.43030 0.87877 0.56970 1.00000
Co11 Co 0.12123 0.56970 0.87877 1.00000
Co12 Co 0.87877 0.43030 0.12123 1.00000
Co13 Co 0.50000 0.50000 0.50000 1.00000
Co14 Co 0.00000 0.00000 0.00000 1.00000
