Zn(Ga2H)2
Alexandria ALEXAlex-ID: agm096598348 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_456_spg12
Ga ZnH2
2025-04-10 19:35:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096598348).
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 agm096598348
data_agm096598348
_cell_length_a 4.90943
_cell_length_b 2.92234
_cell_length_c 8.03853
_cell_angle_alpha 90.00000
_cell_angle_beta 91.03910
_cell_angle_gamma 90.00000
_cell_volume 115.31016
_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 0.00003 0.00000 0.92752 1.00000
Ga1 Ga 0.50791 0.00000 0.15165 1.00000
Ga2 Ga 0.99080 0.00000 0.61104 1.00000
Ga3 Ga 0.01198 0.00000 0.28707 1.00000
Ga4 Ga 0.49631 0.00000 0.80568 1.00000
H1 H 0.00346 0.50000 0.03905 1.00000
H2 H 0.48951 0.50000 0.67800 1.00000
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