NaAsF4
Alexandria ALEXAlex-ID: agm005755039 · Space group: Pmn2_1 (#31)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_51_spg31
NaAsF4
2023-07-28 07:12:56.845694
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755039).
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 agm005755039
data_agm005755039
_cell_length_a 4.15677
_cell_length_b 5.48550
_cell_length_c 8.04879
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 183.52804
_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 0.42757 0.50000 0.37387 1.00000
Na2 Na 0.92757 0.00000 0.62613 1.00000
As1 As 0.01161 0.00000 0.18648 1.00000
As2 As 0.51161 0.50000 0.81352 1.00000
F1 F 0.93364 0.77733 0.36735 1.00000
F2 F 0.43364 0.72267 0.63265 1.00000
F3 F 0.34822 0.77795 0.15499 1.00000
F4 F 0.84822 0.72205 0.84501 1.00000
F5 F 0.84822 0.27795 0.84501 1.00000
F6 F 0.34822 0.22205 0.15499 1.00000
F7 F 0.43364 0.27733 0.63265 1.00000
F8 F 0.93364 0.22267 0.36735 1.00000
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