ZnAg2F6
Alexandria ALEXAlex-ID: agm005640032 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2304_spg12
AgF2 ZnF2
2023-07-07 04:55:00.619377
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640032).
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 agm005640032
data_agm005640032
_cell_length_a 3.27771
_cell_length_b 5.66725
_cell_length_c 8.02011
_cell_angle_alpha 80.14232
_cell_angle_beta 78.20908
_cell_angle_gamma 73.19170
_cell_volume 138.60164
_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
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Ag1 Ag 0.13881 0.88217 0.84020 1.00000
Ag2 Ag 0.86119 0.11783 0.15980 1.00000
F1 F 0.63588 0.73080 0.99745 1.00000
F2 F 0.36412 0.26920 0.00255 1.00000
F3 F 0.91413 0.81775 0.35399 1.00000
F4 F 0.37167 0.62190 0.63476 1.00000
F5 F 0.08587 0.18225 0.64601 1.00000
F6 F 0.62833 0.37810 0.36524 1.00000
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