InAuS2
Alexandria ALEXAlex-ID: agm002181714 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7_spg122
InAuS2
2018-06-01 02:15:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002181714).
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 agm002181714
data_agm002181714
_cell_length_a 5.85710
_cell_length_b 5.85710
_cell_length_c 7.12655
_cell_angle_alpha 114.26359
_cell_angle_beta 114.26359
_cell_angle_gamma 90.00000
_cell_volume 198.95763
_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
S1 S 0.87341 0.87500 0.25000 1.00000
S2 S 0.62500 0.12659 0.75000 1.00000
S3 S 0.37659 0.37500 0.25000 1.00000
S4 S 0.12500 0.62341 0.75000 1.00000
Au1 Au 0.25000 0.75000 0.50000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.75000 0.25000 0.50000 1.00000
Get direct link