Ga2CuH6
Alexandria ALEXAlex-ID: agm097874792 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6409_spg1
CuH4 Ga2Cu GaH6
2025-04-29 17:33:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097874792).
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 agm097874792
data_agm097874792
_cell_length_a 3.56913
_cell_length_b 3.57046
_cell_length_c 7.58841
_cell_angle_alpha 76.08239
_cell_angle_beta 76.08565
_cell_angle_gamma 87.62895
_cell_volume 91.09529
_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
Ga1 Ga 0.19218 0.19259 0.18828 1.00000
Ga2 Ga 0.90081 0.90089 0.53970 1.00000
Cu1 Cu 0.39729 0.39710 0.72313 1.00000
H1 H 0.26101 0.26086 0.94959 1.00000
H2 H 0.55819 0.55816 0.49736 1.00000
H3 H 0.44401 0.91887 0.73222 1.00000
H4 H 0.66901 0.15861 0.19373 1.00000
H5 H 0.91888 0.44387 0.73222 1.00000
H6 H 0.15863 0.66906 0.19378 1.00000
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