Ce2YSi2S8Br
Alexandria ALEXAlex-ID: agm010218775 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E8_41_spg15
Ce3S5 SiS2 YSBr Si
2025-01-16 05:36:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010218775).
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 agm010218775
data_agm010218775
_cell_length_a 8.62791
_cell_length_b 8.62791
_cell_length_c 11.21980
_cell_angle_alpha 86.56465
_cell_angle_beta 93.43535
_cell_angle_gamma 126.75552
_cell_volume 667.66301
_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 0.68050 0.06943 0.80728 1.00000
Ce2 Ce 0.06943 0.68050 0.69272 1.00000
Ce3 Ce 0.31950 0.93057 0.19272 1.00000
Ce4 Ce 0.93057 0.31950 0.30728 1.00000
Y1 Y 0.40699 0.40699 0.75000 1.00000
Y2 Y 0.59301 0.59301 0.25000 1.00000
Si1 Si 0.36859 0.69226 0.46163 1.00000
Si2 Si 0.69226 0.36859 0.03837 1.00000
Si3 Si 0.63141 0.30774 0.53837 1.00000
Si4 Si 0.30774 0.63141 0.96163 1.00000
S1 S 0.60131 0.89151 0.34956 1.00000
S2 S 0.89151 0.60131 0.15044 1.00000
S3 S 0.39869 0.10849 0.65044 1.00000
S4 S 0.10849 0.39869 0.84956 1.00000
S5 S 0.28659 0.41402 0.42421 1.00000
S6 S 0.41402 0.28659 0.07579 1.00000
S7 S 0.71341 0.58598 0.57579 1.00000
S8 S 0.58598 0.71341 0.92421 1.00000
S9 S 0.43292 0.72897 0.64916 1.00000
S10 S 0.72897 0.43292 0.85084 1.00000
S11 S 0.56708 0.27103 0.35084 1.00000
S12 S 0.27103 0.56708 0.14916 1.00000
S13 S 0.13820 0.71387 0.41788 1.00000
S14 S 0.71387 0.13820 0.08212 1.00000
S15 S 0.86180 0.28613 0.58212 1.00000
S16 S 0.28613 0.86180 0.91788 1.00000
Br1 Br 0.99527 0.99527 0.25000 1.00000
Br2 Br 0.00473 0.00473 0.75000 1.00000
