CsCeS14
Alexandria ALEXAlex-ID: agm005757335 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_127_spg74
CeS3 CeS13 CsS10
2023-07-23 20:42:15.414951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757335).
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 agm005757335
data_agm005757335
_cell_length_a 11.15694
_cell_length_b 11.15694
_cell_length_c 11.15694
_cell_angle_alpha 124.46677
_cell_angle_beta 106.08388
_cell_angle_gamma 99.03441
_cell_volume 1010.16842
_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 0.11831 0.75000 0.36831 1.00000
Cs2 Cs 0.88169 0.25000 0.63169 1.00000
Ce1 Ce 0.50000 0.00000 0.00000 1.00000
Ce2 Ce 0.50000 0.50000 0.50000 1.00000
S1 S 0.20004 0.31775 0.88229 1.00000
S2 S 0.79996 0.68225 0.11771 1.00000
S3 S 0.93546 0.81775 0.11771 1.00000
S4 S 0.06454 0.18225 0.88229 1.00000
S5 S 0.50676 0.90331 0.60345 1.00000
S6 S 0.49324 0.09669 0.39655 1.00000
S7 S 0.79986 0.40331 0.39655 1.00000
S8 S 0.20014 0.59669 0.60345 1.00000
S9 S 0.60500 0.85518 0.74983 1.00000
S10 S 0.39500 0.14482 0.25017 1.00000
S11 S 0.60535 0.35518 0.25017 1.00000
S12 S 0.39465 0.64482 0.74983 1.00000
S13 S 0.30244 0.69254 0.03019 1.00000
S14 S 0.69756 0.72775 0.39010 1.00000
S15 S 0.16235 0.19254 0.39010 1.00000
S16 S 0.83765 0.22775 0.03019 1.00000
S17 S 0.69756 0.30746 0.96981 1.00000
S18 S 0.30244 0.27225 0.60990 1.00000
S19 S 0.83765 0.80746 0.60990 1.00000
S20 S 0.16235 0.77225 0.96981 1.00000
S21 S 0.80095 0.17010 0.16796 1.00000
S22 S 0.19905 0.36701 0.36915 1.00000
S23 S 0.50214 0.67010 0.36915 1.00000
S24 S 0.49786 0.86701 0.16796 1.00000
S25 S 0.19905 0.82990 0.83204 1.00000
S26 S 0.80095 0.63299 0.63085 1.00000
S27 S 0.49786 0.32990 0.63085 1.00000
S28 S 0.50214 0.13299 0.83204 1.00000
