Ac3Al7Co2
Alexandria ALEXAlex-ID: agm024440541 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_69_spg12
AcAl2 AlCo Ac
2025-05-15 09:38:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024440541).
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
@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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# CIF generated by HEAS from Alexandria entry agm024440541
data_agm024440541
_cell_length_a 5.75006
_cell_length_b 5.75006
_cell_length_c 9.38754
_cell_angle_alpha 72.24079
_cell_angle_beta 107.75921
_cell_angle_gamma 119.90510
_cell_volume 251.79779
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.14482 0.85518 0.43450 1.00000
Ac3 Ac 0.85518 0.14482 0.56550 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Al2 Al 0.57232 0.93218 0.21257 1.00000
Al3 Al 0.57195 0.42805 0.21236 1.00000
Al4 Al 0.06782 0.42768 0.21257 1.00000
Al5 Al 0.42768 0.06782 0.78743 1.00000
Al6 Al 0.93218 0.57232 0.78743 1.00000
Al7 Al 0.42805 0.57195 0.78764 1.00000
Co1 Co 0.33492 0.66508 0.00499 1.00000
Co2 Co 0.66508 0.33492 0.99501 1.00000
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