ZnAgF5
Alexandria ALEXAlex-ID: agm005282826 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_587_spg2
AgF3 ZnF2
2024-10-19 19:08:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282826).
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 agm005282826
data_agm005282826
_cell_length_a 6.08668
_cell_length_b 5.32073
_cell_length_c 7.76249
_cell_angle_alpha 87.40895
_cell_angle_beta 108.63951
_cell_angle_gamma 100.02451
_cell_volume 234.55546
_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 0.43640 0.49923 0.17685 1.00000
Zn2 Zn 0.56360 0.50077 0.82315 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.00000 0.50000 1.00000
F1 F 0.86000 0.75052 0.79430 1.00000
F2 F 0.14000 0.24948 0.20570 1.00000
F3 F 0.37947 0.77398 0.67151 1.00000
F4 F 0.76763 0.21758 0.86650 1.00000
F5 F 0.31835 0.32987 0.92764 1.00000
F6 F 0.40264 0.29298 0.58598 1.00000
F7 F 0.68165 0.67013 0.07236 1.00000
F8 F 0.59736 0.70702 0.41402 1.00000
F9 F 0.23237 0.78242 0.13350 1.00000
F10 F 0.62053 0.22602 0.32849 1.00000
Get direct link