KNaAgF3
Alexandria ALEXAlex-ID: agm005023934 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_407_spg11
KAgF2 NaF
2022-07-05 18:40:14.393684
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005023934).
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 agm005023934
data_agm005023934
_cell_length_a 3.44829
_cell_length_b 6.14629
_cell_length_c 9.36564
_cell_angle_alpha 103.07067
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 193.35488
_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
K1 K 0.75000 0.64756 0.70332 1.00000
K2 K 0.25000 0.35244 0.29668 1.00000
Na1 Na 0.25000 0.76634 0.04642 1.00000
Na2 Na 0.75000 0.23366 0.95358 1.00000
Ag1 Ag 0.25000 0.12655 0.64704 1.00000
Ag2 Ag 0.75000 0.87345 0.35296 1.00000
F1 F 0.25000 0.74184 0.50148 1.00000
F2 F 0.75000 0.03882 0.14481 1.00000
F3 F 0.75000 0.56036 0.14682 1.00000
F4 F 0.75000 0.25816 0.49852 1.00000
F5 F 0.25000 0.43964 0.85318 1.00000
F6 F 0.25000 0.96118 0.85519 1.00000
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