Ce2U3S8
Alexandria ALEXAlex-ID: agm005641237 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_146_spg65
Ce2US5 U2S3
2023-06-16 11:12:34.144436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641237).
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 agm005641237
data_agm005641237
_cell_length_a 4.70782
_cell_length_b 9.42860
_cell_length_c 8.24560
_cell_angle_alpha 124.86876
_cell_angle_beta 89.99986
_cell_angle_gamma 90.00001
_cell_volume 300.29525
_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
Ce1 Ce 0.50000 0.26538 0.53071 1.00000
Ce2 Ce 0.50000 0.73462 0.46929 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
U2 U 1.00000 0.27183 0.99996 1.00000
U3 U 0.00000 0.72817 0.00004 1.00000
S1 S 0.00000 0.62374 0.24753 1.00000
S2 S 1.00000 0.37626 0.75247 1.00000
S3 S 1.00000 0.11530 0.23060 1.00000
S4 S 0.00000 0.88470 0.76940 1.00000
S5 S 0.50000 0.64031 0.76135 1.00000
S6 S 0.50000 0.12101 0.76129 1.00000
S7 S 0.50000 0.87899 0.23871 1.00000
S8 S 0.50000 0.35969 0.23865 1.00000
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