Ti4PdPt
Alexandria ALEXAlex-ID: agm003733463 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1402_spg123
Ti2Pd Ti3Pt Ti3Pd5
2022-04-19 07:15:20.312846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733463).
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 agm003733463
data_agm003733463
_cell_length_a 4.33830
_cell_length_b 4.33834
_cell_length_c 6.05656
_cell_angle_alpha 89.99333
_cell_angle_beta 89.99786
_cell_angle_gamma 90.00028
_cell_volume 113.99058
_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 0.50130 0.99721 0.24987 1.00000
Ti2 Ti 0.50131 0.99737 0.74641 1.00000
Ti3 Ti 0.00131 0.49732 0.74642 1.00000
Ti4 Ti 0.00128 0.49724 0.24987 1.00000
Pd1 Pd 0.50129 0.49730 0.99811 1.00000
Pt1 Pt 0.00130 0.99728 0.49815 1.00000
