Au4S8I
Alexandria ALEXAlex-ID: agm097643142 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1393_spg1
S5I3 AuS S8I
2025-06-22 16:40:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097643142).
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 agm097643142
data_agm097643142
_cell_length_a 7.14137
_cell_length_b 9.22266
_cell_length_c 7.10341
_cell_angle_alpha 74.33007
_cell_angle_beta 99.43429
_cell_angle_gamma 115.33330
_cell_volume 406.51200
_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
Au1 Au 0.21262 0.90903 0.87891 1.00000
Au2 Au 0.94148 0.51159 0.08384 1.00000
Au3 Au 0.94462 0.53132 0.57254 1.00000
Au4 Au 0.04191 0.93331 0.44624 1.00000
S1 S 0.99625 0.26642 0.15669 1.00000
S2 S 0.17646 0.61417 0.34125 1.00000
S3 S 0.63906 0.67156 0.77616 1.00000
S4 S 0.35582 0.13783 0.32966 1.00000
S5 S 0.69190 0.81480 0.51188 1.00000
S6 S 0.30348 0.34519 0.25312 1.00000
S7 S 0.70167 0.44546 0.80244 1.00000
S8 S 0.88600 0.76146 0.00036 1.00000
I1 I 0.60872 0.05785 0.84690 1.00000
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