Cs4ZnF5
Alexandria ALEXAlex-ID: agm003659367 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Cs3ZnF5 Zn CsF
2022-04-06 12:19:09.743876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003659367).
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 agm003659367
data_agm003659367
_cell_length_a 6.12223
_cell_length_b 7.17111
_cell_length_c 7.17111
_cell_angle_alpha 79.50115
_cell_angle_beta 64.73108
_cell_angle_gamma 64.73108
_cell_volume 257.46677
_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
Cs1 Cs 0.41947 0.39328 0.80792 1.00000
Cs2 Cs 0.81275 0.80792 0.60672 1.00000
Cs3 Cs 0.22739 0.19208 0.39328 1.00000
Cs4 Cs 0.62067 0.60672 0.19208 1.00000
Zn1 Zn 0.01891 1.00000 1.00000 1.00000
F1 F 0.93182 0.35844 0.81336 1.00000
F2 F 0.29026 0.81336 0.64156 1.00000
F3 F 0.74518 0.18664 0.35844 1.00000
F4 F 0.10362 0.64156 0.18664 1.00000
F5 F 0.34023 1.00000 1.00000 1.00000
Get direct link