Cs2Rb3Cd4
Alexandria ALEXAlex-ID: agm005681282 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_99_spg14
CsRbCd Rb2Cd3 Cs3Cd2
2023-06-30 22:33:54.486265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681282).
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 agm005681282
data_agm005681282
_cell_length_a 9.88259
_cell_length_b 10.19558
_cell_length_c 10.16387
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.22251
_cell_volume 983.32370
_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 0.58038 0.19347 0.32611 1.00000
Cs2 Cs 0.91962 0.80653 0.82611 1.00000
Cs3 Cs 0.41962 0.80653 0.67389 1.00000
Cs4 Cs 0.08038 0.19347 0.17389 1.00000
Rb1 Rb 0.00000 0.50000 0.50000 1.00000
Rb2 Rb 0.50000 0.50000 0.00000 1.00000
Rb3 Rb 0.75156 0.24555 0.81608 1.00000
Rb4 Rb 0.74844 0.75445 0.31608 1.00000
Rb5 Rb 0.24844 0.75445 0.18392 1.00000
Rb6 Rb 0.25156 0.24555 0.68392 1.00000
Cd1 Cd 0.89084 0.07349 0.52793 1.00000
Cd2 Cd 0.60916 0.92651 0.02793 1.00000
Cd3 Cd 0.10916 0.92651 0.47207 1.00000
Cd4 Cd 0.39084 0.07349 0.97207 1.00000
Cd5 Cd 0.89081 0.49478 0.10525 1.00000
Cd6 Cd 0.60919 0.50522 0.60525 1.00000
Cd7 Cd 0.10919 0.50522 0.89475 1.00000
Cd8 Cd 0.39081 0.49478 0.39475 1.00000
Get direct link