Y(AlS2)2
Alexandria ALEXAlex-ID: agm096301074 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3656_spg10
Y3AlS6 Al2S3 Al
2025-04-10 13:33:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096301074).
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
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# CIF generated by HEAS from Alexandria entry agm096301074
data_agm096301074
_cell_length_a 3.59119
_cell_length_b 6.44358
_cell_length_c 6.10069
_cell_angle_alpha 88.56397
_cell_angle_beta 90.00021
_cell_angle_gamma 89.99916
_cell_volume 141.12641
_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 0.00014 0.49999 0.00004 1.00000
Al1 Al 0.99979 0.00001 0.99998 1.00000
Al2 Al 0.49999 0.99998 0.50000 1.00000
S1 S 0.50004 0.78472 0.17290 1.00000
S2 S 0.00001 0.80138 0.67291 1.00000
S3 S 0.99998 0.19860 0.32710 1.00000
S4 S 0.50005 0.21532 0.82707 1.00000
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