ZnGaH4
Alexandria ALEXAlex-ID: agm007485461 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_4214_spg1
GaH6 Ga ZnH2
2024-02-09 14:28:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007485461).
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 agm007485461
data_agm007485461
_cell_length_a 4.62210
_cell_length_b 5.46722
_cell_length_c 6.23996
_cell_angle_alpha 77.37391
_cell_angle_beta 78.33510
_cell_angle_gamma 88.15927
_cell_volume 150.68099
_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 0.36301 0.29071 0.24058 1.00000
Zn2 Zn 0.47954 0.67944 0.85726 1.00000
Ga1 Ga 0.94797 0.94043 0.11734 1.00000
Ga2 Ga 0.58023 0.47008 0.48925 1.00000
H1 H 0.78085 0.37009 0.66907 1.00000
H2 H 0.40400 0.71482 0.59272 1.00000
H3 H 0.26126 0.43394 0.99565 1.00000
H4 H 0.23199 0.94133 0.91789 1.00000
H5 H 0.69660 0.14770 0.09688 1.00000
H6 H 0.76550 0.78447 0.91263 1.00000
H7 H 0.12069 0.05130 0.30874 1.00000
H8 H 0.86836 0.67570 0.30199 1.00000
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