SrZn2F6
Alexandria ALEXAlex-ID: agm097154334 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_891_spg12
SrZn2F6
2025-04-06 23:13:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097154334).
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 agm097154334
data_agm097154334
_cell_length_a 3.85385
_cell_length_b 4.05286
_cell_length_c 8.62039
_cell_angle_alpha 89.71658
_cell_angle_beta 86.80240
_cell_angle_gamma 90.40394
_cell_volume 134.42778
_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
Sr1 Sr 0.31360 0.60640 0.76622 1.00000
Zn1 Zn 0.78610 0.61406 0.18621 1.00000
Zn2 Zn 0.77448 0.11128 0.49773 1.00000
F1 F 0.81707 0.60917 0.95854 1.00000
F2 F 0.26297 0.11038 0.55638 1.00000
F3 F 0.70813 0.11000 0.75830 1.00000
F4 F 0.77900 0.11321 0.26594 1.00000
F5 F 0.77655 0.61082 0.53802 1.00000
F6 F 0.28211 0.61468 0.22265 1.00000
Get direct link