VZnH6
Alexandria ALEXAlex-ID: agm079356978 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_278_spg2
ZnH2 VH2 H2
2025-06-26 23:45:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079356978).
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 agm079356978
data_agm079356978
_cell_length_a 5.73243
_cell_length_b 4.97605
_cell_length_c 3.53230
_cell_angle_alpha 69.23470
_cell_angle_beta 71.89804
_cell_angle_gamma 74.89742
_cell_volume 88.25859
_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
V1 V 0.69081 0.22764 0.97820 1.00000
Zn1 Zn 0.79218 0.75283 0.66374 1.00000
H1 H 0.52288 0.60009 0.87657 1.00000
H2 H 0.86582 0.85228 0.07744 1.00000
H3 H 0.68102 0.14601 0.52394 1.00000
H4 H 0.96654 0.40781 0.74909 1.00000
H5 H 0.39258 0.04715 0.21848 1.00000
H6 H 0.33819 0.21619 0.16255 1.00000
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