KCuHRhSeS
Alexandria ALEXAlex-ID: agm006355152 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDEF_541_spg1
K(RhSe2)4 KRhSe2 Rh17S15 K(H3Rh)2 KHS Cu
2024-02-25 13:45:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006355152).
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 agm006355152
data_agm006355152
_cell_length_a 3.68387
_cell_length_b 4.28918
_cell_length_c 7.94357
_cell_angle_alpha 111.61662
_cell_angle_beta 103.29697
_cell_angle_gamma 90.04659
_cell_volume 113.05019
_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
K1 K 0.26722 0.46221 0.80624 1.00000
Cu1 Cu 0.47224 0.27854 0.21833 1.00000
H1 H 0.06665 0.25345 0.41657 1.00000
Rh1 Rh 0.00710 0.87704 0.29045 1.00000
Se1 Se 0.60306 0.80050 0.48395 1.00000
S1 S 0.88346 0.10041 0.03950 1.00000
Get direct link