ZnSnF4
Alexandria ALEXAlex-ID: agm005758574 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1331_spg15
SnF2 ZnF2
2023-07-28 08:23:33.828248
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758574).
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 agm005758574
data_agm005758574
_cell_length_a 5.59424
_cell_length_b 6.58880
_cell_length_c 8.06496
_cell_angle_alpha 122.17639
_cell_angle_beta 119.53273
_cell_angle_gamma 69.04358
_cell_volume 217.08593
_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 0.30499 0.05499 0.10998 1.00000
Zn2 Zn 0.69501 0.94501 0.89002 1.00000
Sn1 Sn 0.41877 0.66877 0.33754 1.00000
Sn2 Sn 0.58123 0.33123 0.66246 1.00000
F1 F 0.93194 0.12942 0.89732 1.00000
F2 F 0.74434 0.61091 0.62968 1.00000
F3 F 0.46538 0.76790 0.89732 1.00000
F4 F 0.38534 0.01877 0.62968 1.00000
F5 F 0.61466 0.98123 0.37032 1.00000
F6 F 0.53462 0.23210 0.10268 1.00000
F7 F 0.25566 0.38909 0.37032 1.00000
F8 F 0.06806 0.87058 0.10268 1.00000
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