Ce2U3S8
Alexandria ALEXAlex-ID: agm003355348 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_9_spg12
Ce2US5 U2S3
2022-02-03 13:23:47.796064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003355348).
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 agm003355348
data_agm003355348
_cell_length_a 6.66120
_cell_length_b 7.97109
_cell_length_c 8.11410
_cell_angle_alpha 119.41868
_cell_angle_beta 106.89848
_cell_angle_gamma 90.00000
_cell_volume 353.76744
_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 0.33843 0.26388 0.52776 1.00000
Ce2 Ce 0.66157 0.73612 0.47224 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
U2 U 1.00000 0.25641 1.00000 1.00000
U3 U 0.00000 0.74359 0.00000 1.00000
S1 S 0.92356 0.61420 0.22841 1.00000
S2 S 0.07644 0.38580 0.77159 1.00000
S3 S 0.92185 0.11461 0.22923 1.00000
S4 S 0.07815 0.88539 0.77077 1.00000
S5 S 0.58765 0.64730 0.75559 1.00000
S6 S 0.58765 0.10829 0.75559 1.00000
S7 S 0.41235 0.89171 0.24441 1.00000
S8 S 0.41235 0.35270 0.24441 1.00000
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