Ba3Sb3Au8
Alexandria ALEXAlex-ID: agm003376697 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Ba(SbAu)2 BaAu5 BaSbAu
2022-02-09 00:21:38.781070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376697).
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 agm003376697
data_agm003376697
_cell_length_a 4.94011
_cell_length_b 9.17109
_cell_length_c 9.17109
_cell_angle_alpha 68.11485
_cell_angle_beta 74.37556
_cell_angle_gamma 74.37556
_cell_volume 364.62059
_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
Ba1 Ba 0.50000 0.50000 0.50000 1.00000
Ba2 Ba 0.79862 0.20138 0.20138 1.00000
Ba3 Ba 0.20138 0.79862 0.79862 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
Sb2 Sb 0.00000 0.78454 0.21546 1.00000
Sb3 Sb 0.00000 0.21546 0.78454 1.00000
Au1 Au 0.63889 0.07907 0.64316 1.00000
Au2 Au 0.36111 0.92093 0.35684 1.00000
Au3 Au 0.63889 0.64316 0.07907 1.00000
Au4 Au 0.36111 0.35684 0.92093 1.00000
Au5 Au 0.83496 0.80197 0.52811 1.00000
Au6 Au 0.16504 0.19803 0.47189 1.00000
Au7 Au 0.83496 0.52811 0.80197 1.00000
Au8 Au 0.16504 0.47189 0.19803 1.00000
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