Na3SbF6
Alexandria ALEXAlex-ID: agm005287331 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_855_spg2
Na2SbF5 NaF
2023-04-21 06:41:12.914510
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287331).
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 agm005287331
data_agm005287331
_cell_length_a 6.76330
_cell_length_b 6.53926
_cell_length_c 7.86255
_cell_angle_alpha 144.85661
_cell_angle_beta 77.96721
_cell_angle_gamma 116.07433
_cell_volume 171.96178
_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 0.00000 0.00000 0.50000 1.00000
Na2 Na 0.50000 0.00000 0.00000 1.00000
Na3 Na 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
F1 F 0.61947 0.54812 0.73954 1.00000
F2 F 0.38053 0.45188 0.26046 1.00000
F3 F 0.14569 0.94944 0.69377 1.00000
F4 F 0.85431 0.05056 0.30623 1.00000
F5 F 0.13639 0.67368 0.91795 1.00000
F6 F 0.86361 0.32632 0.08205 1.00000
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