In3Sn2Au7
Alexandria ALEXAlex-ID: agm024741045 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
InAu2 InSnAu2 In3Au10
2025-05-16 13:21:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024741045).
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 agm024741045
data_agm024741045
_cell_length_a 5.63856
_cell_length_b 5.63856
_cell_length_c 10.21278
_cell_angle_alpha 73.17902
_cell_angle_beta 106.82098
_cell_angle_gamma 118.81550
_cell_volume 267.93600
_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
In1 In 0.00242 0.00242 0.50000 1.00000
In2 In 0.82933 0.17550 0.12070 1.00000
In3 In 0.17550 0.82933 0.87930 1.00000
Sn1 Sn 0.66765 0.33716 0.51900 1.00000
Sn2 Sn 0.33716 0.66765 0.48100 1.00000
Au1 Au 0.50263 0.50263 0.00000 1.00000
Au2 Au 0.36547 0.13777 0.25359 1.00000
Au3 Au 0.86808 0.64461 0.25319 1.00000
Au4 Au 0.33079 0.67210 0.17477 1.00000
Au5 Au 0.64461 0.86808 0.74681 1.00000
Au6 Au 0.67210 0.33079 0.82523 1.00000
Au7 Au 0.13777 0.36547 0.74641 1.00000
Get direct link