Cs2NiRhSe4
Alexandria ALEXAlex-ID: agm004769331 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_370_spg70
Cs(RhSe2)4 CsSe Cs2Ni3Se4 Cs2Rh3Se4
2023-01-27 13:46:48.940741
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004769331).
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 agm004769331
data_agm004769331
_cell_length_a 5.78614
_cell_length_b 7.85680
_cell_length_c 12.73889
_cell_angle_alpha 85.20299
_cell_angle_beta 76.87329
_cell_angle_gamma 68.39380
_cell_volume 524.35701
_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 0.18102 0.00000 0.63796 1.00000
Cs2 Cs 0.81898 0.00000 0.36204 1.00000
Cs3 Cs 0.56898 0.50000 0.86204 1.00000
Cs4 Cs 0.93102 0.50000 0.13796 1.00000
Ni1 Ni 0.25000 0.50000 0.50000 1.00000
Ni2 Ni 0.50000 0.00000 0.00000 1.00000
Rh1 Rh 0.75000 0.50000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.29400 0.82149 0.10713 1.00000
Se2 Se 0.22262 0.17851 0.89287 1.00000
Se3 Se 0.88452 0.82149 0.89287 1.00000
Se4 Se 0.59887 0.17851 0.10713 1.00000
Se5 Se 0.45600 0.67851 0.39287 1.00000
Se6 Se 0.52738 0.32149 0.60713 1.00000
Se7 Se 0.86548 0.67851 0.60713 1.00000
Se8 Se 0.15113 0.32149 0.39287 1.00000
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