GaAgF4
Alexandria ALEXAlex-ID: agm003740530 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1279_spg12
GaAg2F5 GaF3
2022-04-18 12:51:44.816925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003740530).
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 agm003740530
data_agm003740530
_cell_length_a 3.89186
_cell_length_b 7.57135
_cell_length_c 6.88205
_cell_angle_alpha 99.68870
_cell_angle_beta 90.00000
_cell_angle_gamma 104.89284
_cell_volume 192.98419
_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 0.08492 0.16983 0.67097 1.00000
Ga2 Ga 0.91508 0.83017 0.32903 1.00000
Ag1 Ag 0.19976 0.39952 0.24058 1.00000
Ag2 Ag 0.80024 0.60048 0.75942 1.00000
F1 F 0.05029 0.10057 0.37525 1.00000
F2 F 0.10515 0.21029 0.94057 1.00000
F3 F 0.78887 0.57775 0.36296 1.00000
F4 F 0.58741 0.17481 0.65815 1.00000
F5 F 0.41259 0.82519 0.34185 1.00000
F6 F 0.21113 0.42225 0.63704 1.00000
F7 F 0.89485 0.78971 0.05943 1.00000
F8 F 0.94971 0.89943 0.62475 1.00000
Get direct link