CdH4RuRh2
Alexandria ALEXAlex-ID: agm007464056 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_678_spg1
CdH2Rh CdHRh H8Rh3 Ru
2024-03-05 12:34:05.854360
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007464056).
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 agm007464056
data_agm007464056
_cell_length_a 5.53065
_cell_length_b 2.97565
_cell_length_c 5.21601
_cell_angle_alpha 90.08856
_cell_angle_beta 113.45004
_cell_angle_gamma 105.51331
_cell_volume 75.31414
_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
Cd1 Cd 0.11804 0.21611 0.99512 1.00000
H1 H 0.01860 0.16607 0.36980 1.00000
H2 H 0.70151 0.50555 0.98876 1.00000
H3 H 0.47062 0.89197 0.41206 1.00000
H4 H 0.78488 0.54857 0.40128 1.00000
Ru1 Ru 0.61488 0.46404 0.63035 1.00000
Rh1 Rh 0.62858 0.96985 0.14184 1.00000
Rh2 Rh 0.16318 0.73814 0.56108 1.00000
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