Bi8Au3S13
Alexandria ALEXAlex-ID: agm008015649 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C13_2_spg12
Au2S Bi2S3 Au
2024-04-24 05:23:45.798814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008015649).
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 agm008015649
data_agm008015649
_cell_length_a 7.24935
_cell_length_b 7.24935
_cell_length_c 21.74234
_cell_angle_alpha 88.07128
_cell_angle_beta 88.07128
_cell_angle_gamma 33.39002
_cell_volume 628.43975
_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
Bi1 Bi 0.29381 0.29381 0.70075 1.00000
Bi2 Bi 0.70619 0.70619 0.29925 1.00000
Bi3 Bi 0.13321 0.13321 0.46531 1.00000
Bi4 Bi 0.86679 0.86679 0.53469 1.00000
Bi5 Bi 0.01025 0.01025 0.79430 1.00000
Bi6 Bi 0.98975 0.98975 0.20570 1.00000
Bi7 Bi 0.73280 0.73280 0.92151 1.00000
Bi8 Bi 0.26720 0.26720 0.07849 1.00000
Au1 Au 0.53596 0.53596 0.67624 1.00000
Au2 Au 0.46404 0.46404 0.32376 1.00000
Au3 Au 0.00000 0.00000 0.00000 1.00000
S1 S 0.24146 0.24146 0.57410 1.00000
S2 S 0.75854 0.75854 0.42590 1.00000
S3 S 0.34403 0.34403 0.96710 1.00000
S4 S 0.65597 0.65597 0.03290 1.00000
S5 S 0.38507 0.38507 0.81572 1.00000
S6 S 0.61493 0.61493 0.18428 1.00000
S7 S 0.06681 0.06681 0.34229 1.00000
S8 S 0.93319 0.93319 0.65771 1.00000
S9 S 0.67207 0.67207 0.74255 1.00000
S10 S 0.32793 0.32793 0.25745 1.00000
S11 S 0.50000 0.50000 0.50000 1.00000
S12 S 0.08850 0.08850 0.90551 1.00000
S13 S 0.91150 0.91150 0.09449 1.00000
