Na6SrF8
Alexandria ALEXAlex-ID: agm072139305 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_110_spg166
SrF2 NaF
2024-10-06 02:37:16.533418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072139305).
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 agm072139305
data_agm072139305
_cell_length_a 6.17431
_cell_length_b 6.17431
_cell_length_c 6.17431
_cell_angle_alpha 101.79067
_cell_angle_beta 101.79067
_cell_angle_gamma 101.79067
_cell_volume 217.98488
_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 0.89025 0.68008 0.43245 1.00000
Na2 Na 0.68008 0.43245 0.89025 1.00000
Na3 Na 0.43245 0.89025 0.68008 1.00000
Na4 Na 0.10975 0.31992 0.56755 1.00000
Na5 Na 0.31992 0.56755 0.10975 1.00000
Na6 Na 0.56755 0.10975 0.31992 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
F1 F 0.68858 0.68858 0.68858 1.00000
F2 F 0.31142 0.31142 0.31142 1.00000
F3 F 0.15430 0.68248 0.79252 1.00000
F4 F 0.68248 0.79252 0.15430 1.00000
F5 F 0.79252 0.15430 0.68248 1.00000
F6 F 0.84570 0.31752 0.20748 1.00000
F7 F 0.31752 0.20748 0.84570 1.00000
F8 F 0.20748 0.84570 0.31752 1.00000
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