TiAlCo
Alexandria ALEXAlex-ID: agm002197822 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_30_spg11
TiAlCo2 Ti13Al9Co8 TiAl2
2018-06-26 20:57:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002197822).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm002197822
data_agm002197822
_cell_length_a 3.92015
_cell_length_b 4.04586
_cell_length_c 5.54702
_cell_angle_alpha 90.00000
_cell_angle_beta 110.69016
_cell_angle_gamma 90.00000
_cell_volume 82.30357
_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
Co1 Co 0.24135 0.75000 0.48342 1.00000
Co2 Co 0.75865 0.25000 0.51658 1.00000
Al1 Al 0.60010 0.75000 0.20068 1.00000
Al2 Al 0.39990 0.25000 0.79932 1.00000
Ti1 Ti 0.89942 0.75000 0.79841 1.00000
Ti2 Ti 0.10058 0.25000 0.20159 1.00000
