Th3IrPd2
Alexandria ALEXAlex-ID: agm034166355 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
Th2IrPd ThPd
2025-04-13 17:05:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034166355).
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 agm034166355
data_agm034166355
_cell_length_a 7.26952
_cell_length_b 7.26952
_cell_length_c 7.26952
_cell_angle_alpha 146.66766
_cell_angle_beta 132.08852
_cell_angle_gamma 59.61717
_cell_volume 155.26466
_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
Th1 Th 0.84193 0.34193 0.50000 1.00000
Th2 Th 0.50000 0.00000 0.50000 1.00000
Th3 Th 0.15807 0.65807 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.66995 0.66995 0.00000 1.00000
Pd2 Pd 0.33005 0.33005 0.00000 1.00000
