CsRb14S
Alexandria ALEXAlex-ID: agm005752978 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_4_spg38
Cs2S Rb2S Rb
2023-07-19 05:22:08.304213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752978).
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 agm005752978
data_agm005752978
_cell_length_a 10.47670
_cell_length_b 10.47670
_cell_length_c 12.49000
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 100.50555
_cell_volume 1347.93797
_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 0.12243 0.87757 0.50000 1.00000
Rb1 Rb 0.11048 0.88952 0.00000 1.00000
Rb2 Rb 0.60240 0.39760 0.00000 1.00000
Rb3 Rb 0.08567 0.36058 0.50000 1.00000
Rb4 Rb 0.09807 0.38499 0.00000 1.00000
Rb5 Rb 0.63942 0.91433 0.50000 1.00000
Rb6 Rb 0.61501 0.90193 0.00000 1.00000
Rb7 Rb 0.47069 0.20712 0.67088 1.00000
Rb8 Rb 0.47069 0.20712 0.32912 1.00000
Rb9 Rb 0.79288 0.52931 0.67088 1.00000
Rb10 Rb 0.79288 0.52931 0.32912 1.00000
Rb11 Rb 0.35532 0.64468 0.74499 1.00000
Rb12 Rb 0.35532 0.64468 0.25501 1.00000
Rb13 Rb 0.86888 0.13112 0.72842 1.00000
Rb14 Rb 0.86888 0.13112 0.27158 1.00000
S1 S 0.75096 0.24904 0.50000 1.00000
Get direct link