Cs(RhSe)2
Alexandria ALEXAlex-ID: agm002944643 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
Cs2Rh3Se4 Rh
2023-03-29 18:15:51.895753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002944643).
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 agm002944643
data_agm002944643
_cell_length_a 4.69623
_cell_length_b 4.69623
_cell_length_c 6.95634
_cell_angle_alpha 70.27231
_cell_angle_beta 70.27231
_cell_angle_gamma 90.00000
_cell_volume 134.81008
_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 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.31568 0.31568 0.36864 1.00000
Rh2 Rh 0.68432 0.68432 0.63136 1.00000
Se1 Se 0.75000 0.25000 0.50000 1.00000
Se2 Se 0.25000 0.75000 0.50000 1.00000
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