Cs3Cd4Rh
Alexandria ALEXAlex-ID: agm003559151 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_412_spg44
Cs2Cd Cd41Rh8 Cd2Rh
2022-04-05 22:31:46.390860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003559151).
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 agm003559151
data_agm003559151
_cell_length_a 7.68911
_cell_length_b 7.68911
_cell_length_c 7.68911
_cell_angle_alpha 120.57319
_cell_angle_beta 82.57643
_cell_angle_gamma 128.35740
_cell_volume 294.98353
_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
Cs1 Cs 0.56689 0.24691 0.81380 1.00000
Cs2 Cs 0.91235 1.00000 0.91235 1.00000
Cs3 Cs 0.56689 0.75309 0.31998 1.00000
Cd1 Cd 0.21203 0.70808 0.92011 1.00000
Cd2 Cd 0.21203 0.29193 0.50395 1.00000
Cd3 Cd 0.59053 0.26106 0.32947 1.00000
Cd4 Cd 0.06841 0.73894 0.32947 1.00000
Rh1 Rh 0.02187 0.50000 0.52187 1.00000
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