Zn4HAu8
Alexandria ALEXAlex-ID: agm097765705 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1626_spg6
H6Au Zn2Au3 ZnAu3
2025-06-16 02:29:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097765705).
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 agm097765705
data_agm097765705
_cell_length_a 2.84740
_cell_length_b 8.77851
_cell_length_c 9.46235
_cell_angle_alpha 69.34401
_cell_angle_beta 89.99832
_cell_angle_gamma 89.99844
_cell_volume 221.31595
_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 0.00001 0.80717 0.09564 1.00000
Zn2 Zn 0.00003 0.39370 0.06541 1.00000
Zn3 Zn 0.99996 0.56914 0.53958 1.00000
Zn4 Zn 0.99997 0.02008 0.57243 1.00000
H1 H 0.50006 0.17025 0.85969 1.00000
Au1 Au 0.50004 0.09333 0.06918 1.00000
Au2 Au 0.50001 0.53752 0.22895 1.00000
Au3 Au 0.49993 0.74141 0.68573 1.00000
Au4 Au 0.49997 0.30213 0.55713 1.00000
Au5 Au 0.49996 0.82490 0.35042 1.00000
Au6 Au 0.49999 0.17661 0.32195 1.00000
Au7 Au 0.50005 0.40336 0.81810 1.00000
Au8 Au 0.50000 0.96041 0.83579 1.00000
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