CsCeS14
Alexandria ALEXAlex-ID: agm068074684 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_310_spg15
CeS3 CeS13 CsS10
2024-09-13 13:07:50.092497
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068074684).
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 agm068074684
data_agm068074684
_cell_length_a 10.22383
_cell_length_b 10.22383
_cell_length_c 14.68510
_cell_angle_alpha 94.71121
_cell_angle_beta 94.71121
_cell_angle_gamma 49.34376
_cell_volume 1159.72219
_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 0.56719 0.43281 0.25000 1.00000
Cs2 Cs 0.43281 0.56719 0.75000 1.00000
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ce2 Ce 0.00000 0.00000 0.00000 1.00000
S1 S 0.63365 0.94844 0.88611 1.00000
S2 S 0.36635 0.05156 0.11389 1.00000
S3 S 0.94844 0.63365 0.38611 1.00000
S4 S 0.05156 0.36635 0.61389 1.00000
S5 S 0.86965 0.97949 0.31321 1.00000
S6 S 0.13035 0.02051 0.68679 1.00000
S7 S 0.97949 0.86965 0.81321 1.00000
S8 S 0.02051 0.13035 0.18679 1.00000
S9 S 0.75174 0.89724 0.34909 1.00000
S10 S 0.24826 0.10276 0.65091 1.00000
S11 S 0.89724 0.75174 0.84909 1.00000
S12 S 0.10276 0.24826 0.15091 1.00000
S13 S 0.62176 0.14175 0.94801 1.00000
S14 S 0.26657 0.85023 0.37327 1.00000
S15 S 0.14175 0.62176 0.44801 1.00000
S16 S 0.85023 0.26657 0.87327 1.00000
S17 S 0.37824 0.85825 0.05199 1.00000
S18 S 0.73343 0.14977 0.62673 1.00000
S19 S 0.85825 0.37824 0.55199 1.00000
S20 S 0.14977 0.73343 0.12673 1.00000
S21 S 0.08397 0.71391 0.58062 1.00000
S22 S 0.84446 0.34963 0.00069 1.00000
S23 S 0.71391 0.08397 0.08062 1.00000
S24 S 0.34963 0.84446 0.50069 1.00000
S25 S 0.91603 0.28609 0.41938 1.00000
S26 S 0.15554 0.65037 0.99931 1.00000
S27 S 0.28609 0.91603 0.91938 1.00000
S28 S 0.65037 0.15554 0.49931 1.00000
