Cs2Ce2Bi2S
Alexandria ALEXAlex-ID: agm024641754 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_1_spg139
Cs5Bi4 Cs3Bi CeBi CeS
2025-06-27 07:21:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024641754).
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 agm024641754
data_agm024641754
_cell_length_a 5.48240
_cell_length_b 5.48240
_cell_length_c 10.58294
_cell_angle_alpha 75.05102
_cell_angle_beta 104.94898
_cell_angle_gamma 90.00435
_cell_volume 296.16865
_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 0.18289 0.81711 0.36626 1.00000
Cs2 Cs 0.81711 0.18289 0.63374 1.00000
Ce1 Ce 0.00000 0.50000 0.00000 1.00000
Ce2 Ce 0.50000 0.00000 0.00000 1.00000
Bi1 Bi 0.39616 0.60384 0.79186 1.00000
Bi2 Bi 0.60384 0.39616 0.20814 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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