YS4Br
Alexandria ALEXAlex-ID: agm005891084 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3514_spg2
Y(SBr)2 YS8 YSBr
2023-07-31 11:36:52.845228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005891084).
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 agm005891084
data_agm005891084
_cell_length_a 3.81225
_cell_length_b 8.82999
_cell_length_c 19.79277
_cell_angle_alpha 120.66957
_cell_angle_beta 77.46082
_cell_angle_gamma 65.89616
_cell_volume 439.65538
_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 0.79534 0.63293 0.42452 1.00000
Y2 Y 0.20466 0.36707 0.57548 1.00000
S1 S 0.56233 0.38745 0.43347 1.00000
S2 S 0.88210 0.78124 0.03888 1.00000
S3 S 0.86451 0.97354 0.54192 1.00000
S4 S 0.55335 0.85584 0.98555 1.00000
S5 S 0.43767 0.61255 0.56653 1.00000
S6 S 0.13549 0.02646 0.45808 1.00000
S7 S 0.11790 0.21876 0.96112 1.00000
S8 S 0.44665 0.14416 0.01445 1.00000
Br1 Br 0.60671 0.46115 0.28055 1.00000
Br2 Br 0.39329 0.53885 0.71945 1.00000
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