Sb4As2Au3
Alexandria ALEXAlex-ID: agm005656860 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_704_spg15
Sb2Au As2Au
2023-06-26 17:56:29.338477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656860).
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 agm005656860
data_agm005656860
_cell_length_a 8.89446
_cell_length_b 9.05130
_cell_length_c 9.05130
_cell_angle_alpha 79.18759
_cell_angle_beta 55.73887
_cell_angle_gamma 55.73886
_cell_volume 488.74097
_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
Sb1 Sb 0.52662 0.01138 0.80693 1.00000
Sb2 Sb 0.97338 0.19307 0.98862 1.00000
Sb3 Sb 0.47338 0.98862 0.19307 1.00000
Sb4 Sb 0.02662 0.80693 0.01138 1.00000
Sb5 Sb 0.00644 0.80561 0.55581 1.00000
Sb6 Sb 0.49356 0.44419 0.19439 1.00000
Sb7 Sb 0.99356 0.19439 0.44419 1.00000
Sb8 Sb 0.50644 0.55581 0.80561 1.00000
As1 As 0.44373 0.89940 0.50541 1.00000
As2 As 0.05627 0.49459 0.10060 1.00000
As3 As 0.55627 0.10060 0.49459 1.00000
As4 As 0.94373 0.50541 0.89940 1.00000
Au1 Au 0.00686 0.02056 0.73676 1.00000
Au2 Au 0.49314 0.26324 0.97944 1.00000
Au3 Au 0.99314 0.97944 0.26324 1.00000
Au4 Au 0.50686 0.73676 0.02056 1.00000
Au5 Au 0.25000 0.43829 0.56171 1.00000
Au6 Au 0.75000 0.56171 0.43829 1.00000
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