Ti16Al5Pd3
Alexandria ALEXAlex-ID: agm008490965 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C16_25_spg8
Ti3Al TiAlPd Ti2Pd
2024-03-10 03:10:36.706696
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008490965).
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 agm008490965
data_agm008490965
_cell_length_a 9.12928
_cell_length_b 9.12928
_cell_length_c 5.59762
_cell_angle_alpha 75.71645
_cell_angle_beta 75.71645
_cell_angle_gamma 61.00973
_cell_volume 390.98280
_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 0.33217 0.83200 0.41538 1.00000
Ti2 Ti 0.51304 0.51304 0.72465 1.00000
Ti3 Ti 0.66915 0.66915 0.85304 1.00000
Ti4 Ti 0.00682 0.00682 0.73443 1.00000
Ti5 Ti 0.00412 0.00412 0.24474 1.00000
Ti6 Ti 0.83200 0.33217 0.41538 1.00000
Ti7 Ti 0.48731 0.99379 0.54226 1.00000
Ti8 Ti 0.99379 0.48731 0.54226 1.00000
Ti9 Ti 0.16898 0.16898 0.86652 1.00000
Ti10 Ti 0.83430 0.83430 0.54871 1.00000
Ti11 Ti 0.98565 0.49642 0.02901 1.00000
Ti12 Ti 0.49642 0.98565 0.02901 1.00000
Ti13 Ti 0.33959 0.33959 0.58399 1.00000
Ti14 Ti 0.16682 0.66380 0.70880 1.00000
Ti15 Ti 0.50865 0.50865 0.24535 1.00000
Ti16 Ti 0.66380 0.16682 0.70880 1.00000
Al1 Al 0.31942 0.82091 0.92132 1.00000
Al2 Al 0.68038 0.68038 0.35005 1.00000
Al3 Al 0.82091 0.31942 0.92132 1.00000
Al4 Al 0.17562 0.17562 0.36010 1.00000
Al5 Al 0.34305 0.34305 0.06624 1.00000
Pd1 Pd 0.83909 0.83909 0.05079 1.00000
Pd2 Pd 0.16998 0.64925 0.21095 1.00000
Pd3 Pd 0.64925 0.16998 0.21095 1.00000
