Ti2Al4V5
Alexandria ALEXAlex-ID: agm005657272 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_19_spg10
TiAl2 AlV3 TiAl
2023-06-21 09:47:49.002488
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657272).
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 agm005657272
data_agm005657272
_cell_length_a 2.63058
_cell_length_b 6.76721
_cell_length_c 9.12662
_cell_angle_alpha 93.87045
_cell_angle_beta 89.99993
_cell_angle_gamma 90.00000
_cell_volume 162.09892
_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
Ti1 Ti 0.00000 0.05769 0.64178 1.00000
Ti2 Ti 1.00000 0.94231 0.35822 1.00000
Al1 Al 0.50000 0.69445 0.55373 1.00000
Al2 Al 0.50000 0.15734 0.90573 1.00000
Al3 Al 0.50000 0.30555 0.44627 1.00000
Al4 Al 0.50000 0.84266 0.09427 1.00000
V1 V 0.00000 0.57327 0.27562 1.00000
V2 V 0.00000 0.21961 0.17653 1.00000
V3 V 0.00000 0.50000 0.00000 1.00000
V4 V 1.00000 0.78039 0.82347 1.00000
V5 V 1.00000 0.42673 0.72438 1.00000
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