Rb2GaF5
Alexandria ALEXAlex-ID: agm083305166 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_212_spg9
Rb2GaF5
2025-03-15 03:54:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm083305166).
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 agm083305166
data_agm083305166
_cell_length_a 7.43735
_cell_length_b 7.43735
_cell_length_c 7.79743
_cell_angle_alpha 60.99554
_cell_angle_beta 119.00446
_cell_angle_gamma 129.14264
_cell_volume 282.21161
_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
Rb1 Rb 0.34155 0.66769 0.53242 1.00000
Rb2 Rb 0.65845 0.33231 0.46758 1.00000
Rb3 Rb 0.66769 0.34155 0.96758 1.00000
Rb4 Rb 0.33231 0.65845 0.03242 1.00000
Ga1 Ga 0.00000 0.00000 0.50000 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
F1 F 0.92839 0.24962 0.87260 1.00000
F2 F 0.07161 0.75038 0.12740 1.00000
F3 F 0.24962 0.92839 0.62740 1.00000
F4 F 0.75038 0.07161 0.37260 1.00000
F5 F 0.67867 0.77759 0.89223 1.00000
F6 F 0.32133 0.22241 0.10777 1.00000
F7 F 0.77759 0.67867 0.60777 1.00000
F8 F 0.22241 0.32133 0.39223 1.00000
F9 F 0.90294 0.90294 0.25000 1.00000
F10 F 0.09706 0.09706 0.75000 1.00000
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