Ga2SiF6
Alexandria ALEXAlex-ID: agm005595087 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_912_spg14
SiF4 Ga GaF3
2023-07-14 12:33:25.551553
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005595087).
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 agm005595087
data_agm005595087
_cell_length_a 7.67645
_cell_length_b 5.48187
_cell_length_c 8.42271
_cell_angle_alpha 58.19906
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 301.23189
_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 0.40358 0.23347 0.70157 1.00000
Ga2 Ga 0.90358 0.76653 0.79843 1.00000
Ga3 Ga 0.09642 0.23347 0.20157 1.00000
Ga4 Ga 0.59642 0.76653 0.29843 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Si2 Si 0.00000 0.50000 0.50000 1.00000
F1 F 0.90833 0.63721 0.28391 1.00000
F2 F 0.82812 0.26404 0.59913 1.00000
F3 F 0.61323 0.75272 0.02310 1.00000
F4 F 0.11323 0.24728 0.47690 1.00000
F5 F 0.32812 0.73596 0.90087 1.00000
F6 F 0.40833 0.36279 0.21609 1.00000
F7 F 0.09167 0.36279 0.71609 1.00000
F8 F 0.17188 0.73596 0.40087 1.00000
F9 F 0.38677 0.24728 0.97690 1.00000
F10 F 0.88677 0.75272 0.52310 1.00000
F11 F 0.67188 0.26404 0.09913 1.00000
F12 F 0.59167 0.63721 0.78391 1.00000
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