NaAgF2
Alexandria ALEXAlex-ID: agm076137620 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_13688_spg2
NaAgF2
2025-03-13 18:52:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076137620).
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 agm076137620
data_agm076137620
_cell_length_a 5.88888
_cell_length_b 5.88969
_cell_length_c 13.31958
_cell_angle_alpha 78.03529
_cell_angle_beta 78.34928
_cell_angle_gamma 60.01134
_cell_volume 388.78851
_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 0.16754 0.34633 0.48443 1.00000
Na2 Na 0.70330 0.52565 0.97469 1.00000
Na3 Na 0.37406 0.19534 0.97390 1.00000
Na4 Na 0.83841 0.01599 0.48369 1.00000
Na5 Na 0.50829 0.67663 0.48393 1.00000
Na6 Na 0.03344 0.86509 0.97437 1.00000
Ag1 Ag 0.27069 0.27080 0.72917 1.00000
Ag2 Ag 0.77070 0.77084 0.72919 1.00000
Ag3 Ag 0.27074 0.77079 0.72914 1.00000
Ag4 Ag 0.27084 0.77056 0.22919 1.00000
Ag5 Ag 0.60333 0.10457 0.22893 1.00000
Ag6 Ag 0.93865 0.43743 0.22939 1.00000
F1 F 0.46914 0.31507 0.58072 1.00000
F2 F 0.73253 0.88447 0.87605 1.00000
F3 F 0.15092 0.97314 0.58168 1.00000
F4 F 0.19919 0.70965 0.38919 1.00000
F5 F 0.67567 0.16505 0.06851 1.00000
F6 F 0.86616 0.37657 0.38978 1.00000
F7 F 0.34256 0.83178 0.06920 1.00000
F8 F 0.39060 0.56856 0.87661 1.00000
F9 F 0.80901 0.65731 0.58231 1.00000
F10 F 0.07234 0.22654 0.87764 1.00000
F11 F 0.00969 0.49819 0.06929 1.00000
F12 F 0.53220 0.04366 0.38903 1.00000
