ZnCoF4
Alexandria ALEXAlex-ID: agm005290091 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
ZnCoF4
2023-04-21 14:17:19.061119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290091).
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 agm005290091
data_agm005290091
_cell_length_a 6.20685
_cell_length_b 6.20685
_cell_length_c 5.12113
_cell_angle_alpha 66.37959
_cell_angle_beta 66.37959
_cell_angle_gamma 48.24969
_cell_volume 132.24703
_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 0.24619 0.75381 0.75000 1.00000
Zn2 Zn 0.75381 0.24619 0.25000 1.00000
Co1 Co 0.00000 0.50000 0.50000 1.00000
Co2 Co 0.50000 0.00000 0.00000 1.00000
F1 F 0.60047 0.65510 0.82861 1.00000
F2 F 0.84593 0.89986 0.58942 1.00000
F3 F 0.39953 0.34490 0.17139 1.00000
F4 F 0.89986 0.84593 0.08942 1.00000
F5 F 0.15407 0.10014 0.41058 1.00000
F6 F 0.65510 0.60047 0.32861 1.00000
F7 F 0.10014 0.15407 0.91058 1.00000
F8 F 0.34490 0.39953 0.67139 1.00000
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