CoH3PdRh
Alexandria ALEXAlex-ID: agm006994989 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_925_spg2
H8Rh3 HPd Co Rh
2024-03-15 17:07:09.009634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006994989).
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 agm006994989
data_agm006994989
_cell_length_a 5.43024
_cell_length_b 5.43024
_cell_length_c 6.97180
_cell_angle_alpha 73.51091
_cell_angle_beta 73.51091
_cell_angle_gamma 30.19880
_cell_volume 98.83820
_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
Co1 Co 0.96950 0.96950 0.28716 1.00000
Co2 Co 0.03050 0.03050 0.71284 1.00000
H1 H 0.57544 0.57544 0.22283 1.00000
H2 H 0.42456 0.42456 0.77717 1.00000
H3 H 0.08254 0.08254 0.44166 1.00000
H4 H 0.91746 0.91746 0.55834 1.00000
H5 H 0.33612 0.33612 0.32767 1.00000
H6 H 0.66388 0.66388 0.67233 1.00000
Pd1 Pd 0.35841 0.35841 0.04225 1.00000
Pd2 Pd 0.64159 0.64159 0.95775 1.00000
Rh1 Rh 0.31235 0.31235 0.62522 1.00000
Rh2 Rh 0.68765 0.68765 0.37478 1.00000
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