Ta3Sn7Au4
Alexandria ALEXAlex-ID: agm009697683 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_125_spg12
Sn2Au Ta3Sn SnAu
2024-04-06 14:59:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009697683).
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 agm009697683
data_agm009697683
_cell_length_a 10.80607
_cell_length_b 10.80607
_cell_length_c 9.92717
_cell_angle_alpha 81.73965
_cell_angle_beta 81.73965
_cell_angle_gamma 16.59055
_cell_volume 327.48147
_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
Ta1 Ta 0.71654 0.71654 0.60701 1.00000
Ta2 Ta 0.28346 0.28346 0.39299 1.00000
Ta3 Ta 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.60935 0.60935 0.07684 1.00000
Sn2 Sn 0.45021 0.45021 0.24973 1.00000
Sn3 Sn 0.13960 0.13960 0.43569 1.00000
Sn4 Sn 0.39065 0.39065 0.92316 1.00000
Sn5 Sn 0.86040 0.86040 0.56431 1.00000
Sn6 Sn 0.00000 0.00000 0.50000 1.00000
Sn7 Sn 0.54979 0.54979 0.75027 1.00000
Au1 Au 0.28930 0.28930 0.78185 1.00000
Au2 Au 0.71070 0.71070 0.21815 1.00000
Au3 Au 0.15457 0.15457 0.82945 1.00000
Au4 Au 0.84543 0.84543 0.17055 1.00000
Get direct link