Cd3H7Rh4
Alexandria ALEXAlex-ID: agm005697510 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_48_spg12
CdH2Rh H8Rh3 CdHRh
2023-06-29 16:43:13.083037
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697510).
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 agm005697510
data_agm005697510
_cell_length_a 2.99238
_cell_length_b 9.95825
_cell_length_c 7.18969
_cell_angle_alpha 47.60564
_cell_angle_beta 77.98885
_cell_angle_gamma 81.35881
_cell_volume 154.74542
_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 0.29745 0.18234 0.22276 1.00000
Cd2 Cd 0.70255 0.81766 0.77724 1.00000
Cd3 Cd 0.00000 0.50000 0.50000 1.00000
H1 H 0.41120 0.74540 0.43220 1.00000
H2 H 0.58182 0.98824 0.84812 1.00000
H3 H 0.81441 0.45356 0.91762 1.00000
H4 H 0.58880 0.25460 0.56780 1.00000
H5 H 0.18559 0.54644 0.08238 1.00000
H6 H 0.00000 0.00000 0.00000 1.00000
H7 H 0.41818 0.01176 0.15188 1.00000
Rh1 Rh 0.66999 0.42789 0.23213 1.00000
Rh2 Rh 0.33001 0.57211 0.76787 1.00000
Rh3 Rh 0.89628 0.89430 0.31313 1.00000
Rh4 Rh 0.10372 0.10570 0.68687 1.00000
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