Ti4Al5Ni2
Alexandria ALEXAlex-ID: agm002249308 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_19_spg10
Ti4Al5Ni TiAlNi Ti6Al16Ni7
2018-10-21 11:55:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002249308).
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 agm002249308
data_agm002249308
_cell_length_a 2.98526
_cell_length_b 6.81761
_cell_length_c 8.43474
_cell_angle_alpha 94.44398
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 171.15057
_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
Ni1 Ni 0.00000 0.92432 0.36431 1.00000
Ni2 Ni 0.00000 0.07568 0.63569 1.00000
Al1 Al 0.00000 0.45620 0.67279 1.00000
Al2 Al 0.00000 0.83840 0.85574 1.00000
Al3 Al 0.00000 0.50000 0.00000 1.00000
Al4 Al 0.00000 0.16160 0.14426 1.00000
Al5 Al 0.00000 0.54380 0.32721 1.00000
Ti1 Ti 0.50000 0.22581 0.43531 1.00000
Ti2 Ti 0.50000 0.81305 0.13966 1.00000
Ti3 Ti 0.50000 0.77419 0.56469 1.00000
Ti4 Ti 0.50000 0.18695 0.86034 1.00000
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