MgGa6F8
Alexandria ALEXAlex-ID: agm072885342 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_231_spg166
GaF3 Ga MgF2
2024-10-06 04:40:55.158245
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072885342).
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 agm072885342
data_agm072885342
_cell_length_a 5.43754
_cell_length_b 7.53697
_cell_length_c 8.03551
_cell_angle_alpha 119.32553
_cell_angle_beta 87.11182
_cell_angle_gamma 110.72447
_cell_volume 265.46688
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.55379 0.43845 0.80334 1.00000
Ga2 Ga 0.36444 0.67513 0.60806 1.00000
Ga3 Ga 0.15312 0.87559 0.36369 1.00000
Ga4 Ga 0.44621 0.56155 0.19666 1.00000
Ga5 Ga 0.63556 0.32487 0.39194 1.00000
Ga6 Ga 0.84688 0.12441 0.63631 1.00000
F1 F 0.18631 0.85134 0.78863 1.00000
F2 F 0.81369 0.14866 0.21137 1.00000
F3 F 0.35405 0.24711 0.16303 1.00000
F4 F 0.18382 0.41403 0.69090 1.00000
F5 F 0.98805 0.18156 0.88595 1.00000
F6 F 0.64595 0.75289 0.83697 1.00000
F7 F 0.81618 0.58597 0.30910 1.00000
F8 F 0.01195 0.81844 0.11405 1.00000
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