Zn2H5
Alexandria ALEXAlex-ID: agm007355355 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_636_spg15
ZnH2 H2
2024-02-10 15:15:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007355355).
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 agm007355355
data_agm007355355
_cell_length_a 4.86734
_cell_length_b 4.90820
_cell_length_c 8.09356
_cell_angle_alpha 98.30025
_cell_angle_beta 90.00349
_cell_angle_gamma 119.70617
_cell_volume 165.60632
_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 0.20403 0.00007 0.73817 1.00000
Zn2 Zn 0.79661 0.00124 0.23818 1.00000
Zn3 Zn 0.19956 0.99775 0.04700 1.00000
Zn4 Zn 0.79816 0.99761 0.54699 1.00000
H1 H 0.85764 0.71686 0.11888 1.00000
H2 H 0.64855 0.71659 0.36741 1.00000
H3 H 0.85851 0.71620 0.61891 1.00000
H4 H 0.50475 0.00358 0.64465 1.00000
H5 H 0.13741 0.28246 0.16542 1.00000
H6 H 0.06793 0.71604 0.86757 1.00000
H7 H 0.49873 0.00468 0.14532 1.00000
H8 H 0.93821 0.28278 0.41815 1.00000
H9 H 0.14486 0.28188 0.66550 1.00000
H10 H 0.34504 0.28226 0.91783 1.00000
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