IrPdF5
Alexandria ALEXAlex-ID: agm005758920 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_294_spg9
IrPdF6 Ir Pd
2023-07-14 04:23:32.076595
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758920).
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 agm005758920
data_agm005758920
_cell_length_a 5.55924
_cell_length_b 5.55923
_cell_length_c 7.68297
_cell_angle_alpha 71.78300
_cell_angle_beta 71.78301
_cell_angle_gamma 74.81554
_cell_volume 210.66035
_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
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.50726 0.49274 0.75000 1.00000
Pd2 Pd 0.49274 0.50726 0.25000 1.00000
F1 F 0.30094 0.17236 0.86223 1.00000
F2 F 0.32709 0.74010 0.50918 1.00000
F3 F 0.17236 0.30094 0.36223 1.00000
F4 F 0.91204 0.08796 0.75000 1.00000
F5 F 0.25990 0.67291 0.99082 1.00000
F6 F 0.74010 0.32709 0.00918 1.00000
F7 F 0.08796 0.91204 0.25000 1.00000
F8 F 0.82764 0.69906 0.63777 1.00000
F9 F 0.67291 0.25990 0.49082 1.00000
F10 F 0.69906 0.82764 0.13777 1.00000
Get direct link