CsRbS14
Alexandria ALEXAlex-ID: agm005755977 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_121_spg15
RbS3 RbS7 CsS10
2023-07-21 00:48:38.305347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755977).
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 agm005755977
data_agm005755977
_cell_length_a 12.18189
_cell_length_b 11.58889
_cell_length_c 11.58889
_cell_angle_alpha 49.01679
_cell_angle_beta 61.93347
_cell_angle_gamma 61.93345
_cell_volume 1057.13171
_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 0.25000 0.40367 0.09633 1.00000
Cs2 Cs 0.75000 0.59633 0.90367 1.00000
Rb1 Rb 0.50000 0.00000 0.50000 1.00000
Rb2 Rb 0.00000 0.00000 0.50000 1.00000
S1 S 0.66136 0.27988 0.32570 1.00000
S2 S 0.33864 0.72012 0.67430 1.00000
S3 S 0.16136 0.82570 0.77988 1.00000
S4 S 0.83864 0.17430 0.22012 1.00000
S5 S 0.16332 0.20890 0.50105 1.00000
S6 S 0.83668 0.79110 0.49895 1.00000
S7 S 0.66332 0.00105 0.70890 1.00000
S8 S 0.33668 0.99895 0.29110 1.00000
S9 S 0.17735 0.02871 0.72376 1.00000
S10 S 0.82265 0.97129 0.27624 1.00000
S11 S 0.67735 0.22376 0.52871 1.00000
S12 S 0.32265 0.77624 0.47129 1.00000
S13 S 0.85733 0.46372 0.35222 1.00000
S14 S 0.57980 0.32138 0.82115 1.00000
S15 S 0.35733 0.85222 0.96372 1.00000
S16 S 0.07980 0.32115 0.82138 1.00000
S17 S 0.14267 0.53628 0.64778 1.00000
S18 S 0.42020 0.67862 0.17885 1.00000
S19 S 0.64267 0.14778 0.03628 1.00000
S20 S 0.92020 0.67885 0.17862 1.00000
S21 S 0.37368 0.06124 0.88514 1.00000
S22 S 0.19501 0.17961 0.97439 1.00000
S23 S 0.87368 0.38514 0.56124 1.00000
S24 S 0.69501 0.47439 0.67961 1.00000
S25 S 0.62632 0.93876 0.11486 1.00000
S26 S 0.80499 0.82039 0.02561 1.00000
S27 S 0.12632 0.61486 0.43876 1.00000
S28 S 0.30499 0.52561 0.32039 1.00000
