Zn2Sb4Au
Alexandria ALEXAlex-ID: agm096735965 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6191_spg25
Zn2Au Sb
2025-04-11 15:09:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096735965).
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 agm096735965
data_agm096735965
_cell_length_a 4.95090
_cell_length_b 4.63602
_cell_length_c 8.00286
_cell_angle_alpha 89.97082
_cell_angle_beta 88.83189
_cell_angle_gamma 93.55949
_cell_volume 183.29268
_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
Zn1 Zn 0.90311 0.00426 0.99659 1.00000
Zn2 Zn 0.33058 0.99327 0.50173 1.00000
Sb1 Sb 0.54169 0.23332 0.22105 1.00000
Sb2 Sb 0.01161 0.30679 0.71340 1.00000
Sb3 Sb 0.94143 0.69738 0.30099 1.00000
Sb4 Sb 0.55307 0.70628 0.74760 1.00000
Au1 Au 0.21851 0.55870 0.01864 1.00000
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