Zn(GaH3)2
Alexandria ALEXAlex-ID: agm097793374 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6243_spg1
GaH6 Ga ZnH2
2025-04-29 17:58:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097793374).
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 agm097793374
data_agm097793374
_cell_length_a 3.06559
_cell_length_b 3.52847
_cell_length_c 9.78902
_cell_angle_alpha 110.65811
_cell_angle_beta 86.80259
_cell_angle_gamma 90.07018
_cell_volume 98.90466
_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 0.49164 0.58839 0.18734 1.00000
Ga1 Ga 0.59591 0.47640 0.84683 1.00000
Ga2 Ga 0.39060 0.19221 0.52662 1.00000
H1 H 0.51991 0.70911 0.02881 1.00000
H2 H 0.29978 0.71388 0.54646 1.00000
H3 H 0.99514 0.36005 0.17349 1.00000
H4 H 0.11076 0.45134 0.76988 1.00000
H5 H 0.48429 0.01887 0.33209 1.00000
H6 H 0.61196 0.98974 0.83849 1.00000
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