Zn6InAu5
Alexandria ALEXAlex-ID: agm006136563 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Zn2Au In2Au ZnAu
2023-09-13 00:30:03.920009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136563).
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 agm006136563
data_agm006136563
_cell_length_a 4.71145
_cell_length_b 6.13789
_cell_length_c 7.31536
_cell_angle_alpha 89.99896
_cell_angle_beta 107.53566
_cell_angle_gamma 90.00005
_cell_volume 201.71779
_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 0.76646 0.74437 0.64849 1.00000
Zn2 Zn 0.76645 0.25559 0.64848 1.00000
Zn3 Zn 0.50000 0.26898 0.99999 1.00000
Zn4 Zn 0.50000 0.73102 0.00001 1.00000
Zn5 Zn 0.23355 0.74441 0.35152 1.00000
Zn6 Zn 0.23354 0.25563 0.35151 1.00000
Au1 Au 0.72422 0.50000 0.32736 1.00000
Au2 Au 0.28499 0.99999 0.68080 1.00000
Au3 Au 0.00000 0.50000 0.00000 1.00000
Au4 Au 0.71501 0.00001 0.31920 1.00000
Au5 Au 0.27578 0.50000 0.67264 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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