In3(SnAu)4
Alexandria ALEXAlex-ID: agm010019149 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_136_spg12
In5SnAu3 Sn2Au SnAu
2024-03-27 02:17:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010019149).
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 agm010019149
data_agm010019149
_cell_length_a 11.94096
_cell_length_b 11.94096
_cell_length_c 5.64215
_cell_angle_alpha 78.67173
_cell_angle_beta 78.67173
_cell_angle_gamma 21.43588
_cell_volume 288.07483
_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 0.37194 0.37194 0.62384 1.00000
In2 In 0.62806 0.62806 0.37616 1.00000
In3 In 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.43723 0.43723 0.01950 1.00000
Sn2 Sn 0.56277 0.56277 0.98050 1.00000
Sn3 Sn 0.21764 0.21764 0.80235 1.00000
Sn4 Sn 0.78236 0.78236 0.19765 1.00000
Au1 Au 0.89859 0.89859 0.29512 1.00000
Au2 Au 0.79233 0.79233 0.69668 1.00000
Au3 Au 0.20767 0.20767 0.30332 1.00000
Au4 Au 0.10141 0.10141 0.70488 1.00000
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