NaSr2F9
Alexandria ALEXAlex-ID: agm101359102 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_512_spg1
NaF3 NaF7 SrF2
2025-05-19 15:14:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101359102).
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 agm101359102
data_agm101359102
_cell_length_a 4.23674
_cell_length_b 6.77119
_cell_length_c 6.80108
_cell_angle_alpha 63.43098
_cell_angle_beta 84.33172
_cell_angle_gamma 86.15060
_cell_volume 173.59298
_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
Na1 Na 0.30346 0.95711 0.04938 1.00000
Sr1 Sr 0.14739 0.69598 0.65809 1.00000
Sr2 Sr 0.76691 0.35899 0.36520 1.00000
F1 F 0.62316 0.79358 0.35577 1.00000
F2 F 0.03951 0.20012 0.73552 1.00000
F3 F 0.94658 0.68233 0.01691 1.00000
F4 F 0.64326 0.44948 0.75995 1.00000
F5 F 0.30139 0.10419 0.52862 1.00000
F6 F 0.41146 0.33204 0.05790 1.00000
F7 F 0.25138 0.56189 0.36506 1.00000
F8 F 0.94757 0.01664 0.30904 1.00000
F9 F 0.61794 0.84767 0.79855 1.00000
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