VIrPd
Alexandria ALEXAlex-ID: agm005672575 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_30_spg11
VPd3 VIr VIr3
2023-06-18 13:39:23.229182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672575).
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 agm005672575
data_agm005672575
_cell_length_a 3.88044
_cell_length_b 3.72222
_cell_length_c 6.23551
_cell_angle_alpha 107.36571
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 85.95955
_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
V1 V 0.25000 0.08346 0.16693 1.00000
V2 V 0.75000 0.91654 0.83307 1.00000
Ir1 Ir 0.25000 0.42240 0.84480 1.00000
Ir2 Ir 0.75000 0.57760 0.15520 1.00000
Pd1 Pd 0.25000 0.74822 0.49644 1.00000
Pd2 Pd 0.75000 0.25178 0.50356 1.00000
Get direct link