MoPdRh3
Alexandria ALEXAlex-ID: agm005780997 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5318_spg166
MoPd11 MoRh8 MoRh3
2023-07-04 18:23:36.139511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005780997).
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 agm005780997
data_agm005780997
_cell_length_a 5.38109
_cell_length_b 5.38109
_cell_length_c 7.28536
_cell_angle_alpha 68.32705
_cell_angle_beta 68.32704
_cell_angle_gamma 60.00000
_cell_volume 165.24863
_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
Mo1 Mo 0.10998 0.10998 0.67006 1.00000
Mo2 Mo 0.89002 0.89002 0.32994 1.00000
Pd1 Pd 0.33238 0.33238 0.00285 1.00000
Pd2 Pd 0.66762 0.66762 0.99715 1.00000
Rh1 Rh 0.10732 0.61692 0.65883 1.00000
Rh2 Rh 0.61692 0.10732 0.65883 1.00000
Rh3 Rh 0.38308 0.38308 0.34117 1.00000
Rh4 Rh 0.38308 0.89268 0.34117 1.00000
Rh5 Rh 0.89268 0.38308 0.34117 1.00000
Rh6 Rh 0.61692 0.61692 0.65883 1.00000
Get direct link