Ga2H7I
Alexandria ALEXAlex-ID: agm006201017 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1177_spg8
H9I Ga2I3 Ga
2023-11-18 10:24:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201017).
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 agm006201017
data_agm006201017
_cell_length_a 7.51859
_cell_length_b 7.57914
_cell_length_c 5.35146
_cell_angle_alpha 127.64959
_cell_angle_beta 51.51284
_cell_angle_gamma 108.77030
_cell_volume 188.15252
_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
I1 I 0.99854 0.33721 0.96677 1.00000
H1 H 0.30205 0.78436 0.98634 1.00000
H2 H 0.71601 0.86111 0.93904 1.00000
H3 H 0.50337 0.47792 0.94449 1.00000
H4 H 0.15749 0.13699 0.79678 1.00000
H5 H 0.33894 0.89533 0.57447 1.00000
H6 H 0.51333 0.16819 0.98463 1.00000
H7 H 0.68099 0.75189 0.35118 1.00000
Ga1 Ga 0.44998 0.92596 0.81307 1.00000
Ga2 Ga 0.57169 0.71842 0.11141 1.00000
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