GaSb3Au5
Alexandria ALEXAlex-ID: agm072162001 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1255_spg8
SbAu GaAu2
2024-09-24 11:00:07.743727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072162001).
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
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# CIF generated by HEAS from Alexandria entry agm072162001
data_agm072162001
_cell_length_a 4.32504
_cell_length_b 6.72603
_cell_length_c 8.77423
_cell_angle_alpha 73.03051
_cell_angle_beta 121.36356
_cell_angle_gamma 107.82334
_cell_volume 204.71186
_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
Ga1 Ga 0.71827 0.89047 0.87339 1.00000
Sb1 Sb 0.78052 0.00643 0.37730 1.00000
Sb2 Sb 0.21273 0.53409 0.55122 1.00000
Sb3 Sb 0.44331 0.46029 0.07891 1.00000
Au1 Au 0.42430 0.07705 0.99016 1.00000
Au2 Au 0.17092 0.69171 0.20517 1.00000
Au3 Au 0.79158 0.30624 0.78350 1.00000
Au4 Au 0.00451 0.76080 0.72796 1.00000
Au5 Au 0.45385 0.27292 0.41239 1.00000
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