Ce3As2S
Alexandria ALEXAlex-ID: agm005648397 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
Ce3As2S
2023-08-25 04:35:47.985866
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648397).
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 agm005648397
data_agm005648397
_cell_length_a 4.16578
_cell_length_b 5.88819
_cell_length_c 7.19890
_cell_angle_alpha 114.13979
_cell_angle_beta 106.81810
_cell_angle_gamma 90.00000
_cell_volume 152.82531
_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 0.83774 0.33774 0.17548 1.00000
Ce2 Ce 0.16226 0.66226 0.82452 1.00000
Ce3 Ce 0.50000 0.00000 0.50000 1.00000
As1 As 0.83179 0.83179 0.16359 1.00000
As2 As 0.16821 0.16821 0.83641 1.00000
S1 S 0.50000 0.50000 0.50000 1.00000
