CeCu2S3
Alexandria ALEXAlex-ID: agm013001663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1827_spg15
Ce(CuS)4 Ce3Cu2S7
2025-04-15 10:14:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013001663).
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 agm013001663
data_agm013001663
_cell_length_a 3.97210
_cell_length_b 7.06052
_cell_length_c 8.82140
_cell_angle_alpha 88.46720
_cell_angle_beta 102.98925
_cell_angle_gamma 106.22764
_cell_volume 231.28974
_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 0.66968 0.07338 0.26688 1.00000
Ce2 Ce 0.33032 0.92662 0.73312 1.00000
Cu1 Cu 0.77652 0.60775 0.94342 1.00000
Cu2 Cu 0.22348 0.39225 0.05658 1.00000
Cu3 Cu 0.92992 0.52444 0.34121 1.00000
Cu4 Cu 0.07008 0.47556 0.65879 1.00000
S1 S 0.33979 0.36307 0.32022 1.00000
S2 S 0.66021 0.63693 0.67978 1.00000
S3 S 0.60608 0.24503 0.96762 1.00000
S4 S 0.39392 0.75497 0.03238 1.00000
S5 S 0.11703 0.84699 0.38641 1.00000
S6 S 0.88297 0.15301 0.61359 1.00000
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