CdSiRhCl
Alexandria ALEXAlex-ID: agm002020993 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_894_spg8
CdCl2 SiRh Cd
2021-11-15 09:41:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002020993).
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 agm002020993
data_agm002020993
_cell_length_a 3.11762
_cell_length_b 3.05846
_cell_length_c 15.96944
_cell_angle_alpha 90.00000
_cell_angle_beta 100.95382
_cell_angle_gamma 90.00000
_cell_volume 149.49628
_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
Si1 Si 0.00205 0.00000 0.18653 1.00000
Si2 Si 0.00205 0.50000 0.68653 1.00000
Cl1 Cl 0.87093 0.00000 0.05278 1.00000
Cl2 Cl 0.87093 0.50000 0.55278 1.00000
Rh1 Rh 0.56936 0.00000 0.75576 1.00000
Rh2 Rh 0.56936 0.50000 0.25576 1.00000
Cd1 Cd 0.19368 0.00000 0.38276 1.00000
Cd2 Cd 0.19368 0.50000 0.88276 1.00000
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