Ga2H7Cl
Alexandria ALEXAlex-ID: agm006201084 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1077_spg1
GaH6 GaH4Cl Ga
2023-11-02 10:16:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201084).
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 agm006201084
data_agm006201084
_cell_length_a 8.59984
_cell_length_b 8.95515
_cell_length_c 6.63506
_cell_angle_alpha 146.23529
_cell_angle_beta 35.82691
_cell_angle_gamma 122.29495
_cell_volume 150.11407
_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
H1 H 0.00972 0.91316 0.21650 1.00000
H2 H 0.66486 0.10627 0.21658 1.00000
H3 H 0.34727 0.77019 0.28035 1.00000
H4 H 0.39873 0.17010 0.99028 1.00000
H5 H 0.72888 0.41291 0.79966 1.00000
H6 H 0.48314 0.82379 0.82348 1.00000
H7 H 0.80864 0.50950 0.83870 1.00000
Ga1 Ga 0.22786 0.05172 0.17748 1.00000
Ga2 Ga 0.54516 0.86989 0.05701 1.00000
Cl1 Cl 0.01813 0.42986 0.06815 1.00000
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