CdCu(H2Rh)2
Alexandria ALEXAlex-ID: agm007464052 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_41_spg42
CdH2Rh CdHRh Cu H8Rh3
2024-03-26 03:22:43.832932
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007464052).
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
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# CIF generated by HEAS from Alexandria entry agm007464052
data_agm007464052
_cell_length_a 5.08793
_cell_length_b 5.04430
_cell_length_c 4.36853
_cell_angle_alpha 64.97674
_cell_angle_beta 63.94415
_cell_angle_gamma 51.07910
_cell_volume 76.61090
_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 0.63420 0.63420 0.36580 1.00000
Cu1 Cu 0.13218 0.13218 0.86782 1.00000
H1 H 0.14772 0.77539 0.85228 1.00000
H2 H 0.11147 0.48215 0.51785 1.00000
H3 H 0.48215 0.11147 0.88853 1.00000
H4 H 0.77539 0.14772 0.22461 1.00000
Rh1 Rh 0.38457 0.38457 0.11543 1.00000
Rh2 Rh 0.88457 0.88457 0.61543 1.00000
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