Ce2YS3
Alexandria ALEXAlex-ID: agm062168085 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_120_spg36
Ce2YS3
2025-03-02 03:56:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062168085).
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 agm062168085
data_agm062168085
_cell_length_a 8.91477
_cell_length_b 8.91477
_cell_length_c 5.63966
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.12654
_cell_volume 268.94320
_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 0.24995 0.75005 0.75000 1.00000
Ce2 Ce 0.75005 0.24995 0.25000 1.00000
Ce3 Ce 0.91584 0.08416 0.75000 1.00000
Ce4 Ce 0.08416 0.91584 0.25000 1.00000
Y1 Y 0.58410 0.41590 0.75000 1.00000
Y2 Y 0.41590 0.58410 0.25000 1.00000
S1 S 0.25274 0.74726 0.25000 1.00000
S2 S 0.74726 0.25274 0.75000 1.00000
S3 S 0.08284 0.91716 0.75000 1.00000
S4 S 0.91716 0.08284 0.25000 1.00000
S5 S 0.58032 0.41968 0.25000 1.00000
S6 S 0.41968 0.58032 0.75000 1.00000
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