Li2ZnH6Au
Alexandria ALEXAlex-ID: agm007517954 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_448_spg107
LiZn3Au2 LiH9 LiZn5Au6 LiH
2024-02-08 00:48:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007517954).
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 agm007517954
data_agm007517954
_cell_length_a 4.78363
_cell_length_b 5.69629
_cell_length_c 4.77528
_cell_angle_alpha 97.15220
_cell_angle_beta 99.21738
_cell_angle_gamma 126.25986
_cell_volume 99.56080
_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
Li1 Li 0.76532 0.67551 0.37115 1.00000
Li2 Li 0.21988 0.64819 0.89375 1.00000
Zn1 Zn 0.04333 0.06081 0.99230 1.00000
H1 H 0.76250 0.42141 0.58570 1.00000
H2 H 0.33125 0.42587 0.07105 1.00000
H3 H 0.13782 0.86191 0.17769 1.00000
H4 H 0.78469 0.03571 0.26527 1.00000
H5 H 0.26676 0.99333 0.73254 1.00000
H6 H 0.60817 0.79657 0.68339 1.00000
Au1 Au 0.56819 0.04629 0.52968 1.00000
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