In5GaF8
Alexandria ALEXAlex-ID: agm006118075 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_148_spg82
In2GaF5 In InF2
2023-08-11 04:38:12.584431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118075).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006118075
data_agm006118075
_cell_length_a 7.52008
_cell_length_b 7.52008
_cell_length_c 7.52008
_cell_angle_alpha 89.87742
_cell_angle_beta 120.07083
_cell_angle_gamma 120.07083
_cell_volume 300.39055
_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
In1 In 0.73511 0.63033 0.85467 1.00000
In2 In 0.22434 0.10479 0.36967 1.00000
In3 In 0.26489 0.11955 0.89521 1.00000
In4 In 0.00000 0.50000 0.50000 1.00000
In5 In 0.77566 0.14533 0.88045 1.00000
Ga1 Ga 0.50000 0.75001 0.25001 1.00000
F1 F 0.40364 0.66748 0.42904 1.00000
F2 F 0.76156 0.73616 0.33252 1.00000
F3 F 0.71060 0.36422 0.04002 1.00000
F4 F 0.67580 0.34638 0.63578 1.00000
F5 F 0.32420 0.95998 0.67058 1.00000
F6 F 0.23844 0.57096 0.97459 1.00000
F7 F 0.59636 0.02540 0.26384 1.00000
F8 F 0.28940 0.32942 0.65362 1.00000
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