ZnSnF4
Alexandria ALEXAlex-ID: agm002148162 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_189_spg5
SnF2 ZnF2
2018-06-12 21:20:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002148162).
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 agm002148162
data_agm002148162
_cell_length_a 5.08519
_cell_length_b 5.67798
_cell_length_c 7.08457
_cell_angle_alpha 108.50108
_cell_angle_beta 107.46358
_cell_angle_gamma 90.76179
_cell_volume 183.70752
_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 0.75395 0.81808 0.50588 1.00000
Zn2 Zn 0.24848 0.35445 0.49535 1.00000
Sn1 Sn 0.97718 0.40659 0.90180 1.00000
Sn2 Sn 0.53532 0.99898 0.07474 1.00000
F1 F 0.56289 0.48860 0.78540 1.00000
F2 F 0.79728 0.76589 0.20862 1.00000
F3 F 0.43067 0.55532 0.37432 1.00000
F4 F 0.47962 0.06886 0.39185 1.00000
F5 F 0.06024 0.13412 0.61543 1.00000
F6 F 0.02447 0.61504 0.64209 1.00000
F7 F 0.74117 0.02580 0.80658 1.00000
F8 F 0.90839 0.25537 0.22028 1.00000
Get direct link