Pd2RhI6
Alexandria ALEXAlex-ID: agm005757991 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3178_spg12
RhI3 Pd PdI2
2023-07-09 10:27:44.587794
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757991).
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 agm005757991
data_agm005757991
_cell_length_a 3.98309
_cell_length_b 7.12784
_cell_length_c 11.72882
_cell_angle_alpha 105.50179
_cell_angle_beta 99.77615
_cell_angle_gamma 90.00000
_cell_volume 315.85635
_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
Pd1 Pd 0.84765 0.47636 0.69530 1.00000
Pd2 Pd 0.15235 0.52364 0.30470 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
I1 I 0.39122 0.72012 0.78243 1.00000
I2 I 0.95672 0.17880 0.91344 1.00000
I3 I 0.70627 0.75296 0.41253 1.00000
I4 I 0.04328 0.82120 0.08656 1.00000
I5 I 0.60878 0.27988 0.21757 1.00000
I6 I 0.29373 0.24704 0.58747 1.00000
Get direct link