Al26Ru7
Alexandria ALEXAlex-ID: agm024369625 · Space group: Fm-3 (#202)
Basic Information
Formula
Al26Ru7
Alex-ID
agm024369625
Elements
2
Sites
66
Space group
Fm-3 (#202)
Crystal system
cubic
Volume
1,006.18
ų
Cell a
11.2477
Å
Cell b
11.2477
Å
Cell c
11.2477
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Al26Ru7
Al
52.00 · 78.8%
Ru
14.00 · 21.2%
Energy & Stability
Energy above hull
0.0425
eV/atom
Formation energy
-0.4418
eV/atom
Corrected total energy
-353.7914
eV
Raw total energy
-353.7914
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.3597
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A7B26_0_spg202
Decomposition
Al6Ru Al13Ru4
Computed at
2024-11-09 09:47:02.008706
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: agm024369625).
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
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm024369625
data_agm024369625
_cell_length_a 11.24770
_cell_length_b 11.24770
_cell_length_c 11.24770
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 1006.18206
_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 0.79478 0.20522 0.20522 1.00000
Al2 Al 0.20522 0.79478 0.79478 1.00000
Al3 Al 0.79478 0.79478 0.20522 1.00000
Al4 Al 0.20522 0.20522 0.79478 1.00000
Al5 Al 0.20522 0.79478 0.20522 1.00000
Al6 Al 0.79478 0.20522 0.79478 1.00000
Al7 Al 0.27510 0.55268 0.44732 1.00000
Al8 Al 0.72490 0.44732 0.55268 1.00000
Al9 Al 0.44732 0.72490 0.27510 1.00000
Al10 Al 0.55268 0.27510 0.72490 1.00000
Al11 Al 0.72490 0.27510 0.44732 1.00000
Al12 Al 0.27510 0.72490 0.55268 1.00000
Al13 Al 0.55268 0.44732 0.27510 1.00000
Al14 Al 0.44732 0.55268 0.72490 1.00000
Al15 Al 0.55268 0.72490 0.44732 1.00000
Al16 Al 0.44732 0.27510 0.55268 1.00000
Al17 Al 0.27510 0.44732 0.72490 1.00000
Al18 Al 0.72490 0.55268 0.27510 1.00000
Al19 Al 0.79838 0.68056 0.51103 1.00000
Al20 Al 0.20162 0.31944 0.48897 1.00000
Al21 Al 0.51103 0.01003 0.79838 1.00000
Al22 Al 0.68056 0.79838 0.01003 1.00000
Al23 Al 0.01003 0.79838 0.51103 1.00000
Al24 Al 0.48897 0.98997 0.20162 1.00000
Al25 Al 0.31944 0.20162 0.98997 1.00000
Al26 Al 0.98997 0.20162 0.48897 1.00000
Al27 Al 0.01003 0.51103 0.68056 1.00000
Al28 Al 0.68056 0.51103 0.79838 1.00000
Al29 Al 0.98997 0.48897 0.31944 1.00000
Al30 Al 0.31944 0.48897 0.20162 1.00000
Al31 Al 0.51103 0.68056 0.01003 1.00000
Al32 Al 0.48897 0.31944 0.98997 1.00000
Al33 Al 0.79838 0.01003 0.68056 1.00000
Al34 Al 0.20162 0.98997 0.31944 1.00000
Al35 Al 0.68056 0.01003 0.51103 1.00000
Al36 Al 0.31944 0.98997 0.48897 1.00000
Al37 Al 0.79838 0.51103 0.01003 1.00000
Al38 Al 0.20162 0.48897 0.98997 1.00000
Al39 Al 0.51103 0.79838 0.68056 1.00000
Al40 Al 0.48897 0.20162 0.31944 1.00000
Al41 Al 0.01003 0.68056 0.79838 1.00000
Al42 Al 0.98997 0.31944 0.20162 1.00000
Al43 Al 0.90522 0.90522 0.28435 1.00000
Al44 Al 0.09478 0.09478 0.71565 1.00000
Al45 Al 0.28435 0.90522 0.90522 1.00000
Al46 Al 0.90522 0.90522 0.90522 1.00000
Al47 Al 0.71565 0.09478 0.09478 1.00000
Al48 Al 0.09478 0.09478 0.09478 1.00000
Al49 Al 0.90522 0.28435 0.90522 1.00000
Al50 Al 0.09478 0.71565 0.09478 1.00000
Al51 Al 0.75000 0.75000 0.75000 1.00000
Al52 Al 0.25000 0.25000 0.25000 1.00000
Ru1 Ru 0.07220 0.61857 0.38143 1.00000
Ru2 Ru 0.92780 0.38143 0.61857 1.00000
Ru3 Ru 0.38143 0.92780 0.07220 1.00000
Ru4 Ru 0.61857 0.07220 0.92780 1.00000
Ru5 Ru 0.92780 0.07220 0.38143 1.00000
Ru6 Ru 0.07220 0.92780 0.61857 1.00000
Ru7 Ru 0.61857 0.38143 0.07220 1.00000
Ru8 Ru 0.38143 0.61857 0.92780 1.00000
Ru9 Ru 0.61857 0.92780 0.38143 1.00000
Ru10 Ru 0.38143 0.07220 0.61857 1.00000
Ru11 Ru 0.07220 0.38143 0.92780 1.00000
Ru12 Ru 0.92780 0.61857 0.07220 1.00000
Ru13 Ru 0.00000 0.00000 0.00000 1.00000
Ru14 Ru 0.50000 0.50000 0.50000 1.00000
