Y8SiS5
Alexandria ALEXAlex-ID: agm006116582 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
Y4SiS3 Y4S3 Y
2023-08-11 07:22:30.523913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116582).
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 agm006116582
data_agm006116582
_cell_length_a 7.29672
_cell_length_b 7.29672
_cell_length_c 7.29672
_cell_angle_alpha 109.28884
_cell_angle_beta 109.28884
_cell_angle_gamma 109.83660
_cell_volume 299.05227
_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
Y1 Y 0.99596 0.75044 0.12052 1.00000
Y2 Y 0.24956 0.37008 0.24552 1.00000
Y3 Y 0.62026 0.87402 0.37862 1.00000
Y4 Y 0.12598 0.50460 0.74624 1.00000
Y5 Y 0.75835 0.37974 0.25376 1.00000
Y6 Y 0.12457 0.00404 0.75448 1.00000
Y7 Y 0.62992 0.87543 0.87948 1.00000
Y8 Y 0.49540 0.24165 0.62138 1.00000
Si1 Si 0.25000 0.75000 0.50000 1.00000
S1 S 0.87558 0.25189 0.87425 1.00000
S2 S 0.74811 0.62236 0.62369 1.00000
S3 S 0.37764 0.00134 0.12575 1.00000
S4 S 0.50000 0.50000 0.00000 1.00000
S5 S 0.99866 0.12442 0.37631 1.00000
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