Na2SF6
Alexandria ALEXAlex-ID: agm097082005 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1268_spg146
SF4 NaF
2025-04-08 14:07:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097082005).
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
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# CIF generated by HEAS from Alexandria entry agm097082005
data_agm097082005
_cell_length_a 4.24549
_cell_length_b 4.48832
_cell_length_c 7.98543
_cell_angle_alpha 92.37334
_cell_angle_beta 84.21192
_cell_angle_gamma 65.77484
_cell_volume 137.48036
_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 0.43156 0.11387 0.09142 1.00000
Na2 Na 0.93324 0.94137 0.38690 1.00000
S1 S 0.27869 0.65302 0.80347 1.00000
F1 F 0.63278 0.47702 0.91568 1.00000
F2 F 0.96036 0.85428 0.67825 1.00000
F3 F 0.33491 0.98389 0.81668 1.00000
F4 F 0.02225 0.85399 0.06638 1.00000
F5 F 0.54671 0.50534 0.63128 1.00000
F6 F 0.35950 0.11723 0.35994 1.00000
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