Zn2H7Au
Alexandria ALEXAlex-ID: agm006201867 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_254_spg65
ZnH2 H2 ZnAu
2024-02-01 15:13:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201867).
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 agm006201867
data_agm006201867
_cell_length_a 7.05366
_cell_length_b 5.02734
_cell_length_c 6.63418
_cell_angle_alpha 133.34836
_cell_angle_beta 47.63902
_cell_angle_gamma 129.01881
_cell_volume 120.14619
_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
H1 H 0.31379 0.09377 0.08174 1.00000
H2 H 0.63301 0.61742 0.91148 1.00000
H3 H 0.23412 0.21638 0.66746 1.00000
H4 H 0.03537 0.35877 0.19922 1.00000
H5 H 0.47284 0.85543 0.49685 1.00000
H6 H 0.71236 0.49532 0.32634 1.00000
H7 H 0.91116 0.35288 0.79454 1.00000
Zn1 Zn 0.36674 0.20680 0.84110 1.00000
Zn2 Zn 0.57975 0.50478 0.15253 1.00000
Au1 Au 0.97325 0.35583 0.99689 1.00000
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