VAgF6
Alexandria ALEXAlex-ID: agm079594079 · Space group: P2_13 (#198)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1582_spg198
VAgF6
2025-02-02 02:52:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079594079).
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 agm079594079
data_agm079594079
_cell_length_a 8.56416
_cell_length_b 8.56416
_cell_length_c 8.56416
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 628.13679
_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
V1 V 0.99734 0.99734 0.99734 1.00000
V2 V 0.50266 0.00266 0.49734 1.00000
V3 V 0.00266 0.49734 0.50266 1.00000
V4 V 0.49734 0.50266 0.00266 1.00000
Ag1 Ag 0.21953 0.21953 0.21953 1.00000
Ag2 Ag 0.28047 0.78047 0.71953 1.00000
Ag3 Ag 0.78047 0.71953 0.28047 1.00000
Ag4 Ag 0.71953 0.28047 0.78047 1.00000
F1 F 0.42301 0.81316 0.44535 1.00000
F2 F 0.07699 0.18684 0.94535 1.00000
F3 F 0.57699 0.31316 0.05465 1.00000
F4 F 0.92301 0.68684 0.55465 1.00000
F5 F 0.44535 0.42301 0.81316 1.00000
F6 F 0.94535 0.07699 0.18684 1.00000
F7 F 0.05465 0.57699 0.31316 1.00000
F8 F 0.55465 0.92301 0.68684 1.00000
F9 F 0.81316 0.44535 0.42301 1.00000
F10 F 0.18684 0.94535 0.07699 1.00000
F11 F 0.31316 0.05465 0.57699 1.00000
F12 F 0.68684 0.55465 0.92301 1.00000
F13 F 0.55645 0.58710 0.18956 1.00000
F14 F 0.94355 0.41290 0.68956 1.00000
F15 F 0.44355 0.08710 0.31044 1.00000
F16 F 0.05645 0.91290 0.81044 1.00000
F17 F 0.18956 0.55645 0.58710 1.00000
F18 F 0.68956 0.94355 0.41290 1.00000
F19 F 0.31044 0.44355 0.08710 1.00000
F20 F 0.81044 0.05645 0.91290 1.00000
F21 F 0.58710 0.18956 0.55645 1.00000
F22 F 0.41290 0.68956 0.94355 1.00000
F23 F 0.08710 0.31044 0.44355 1.00000
F24 F 0.91290 0.81044 0.05645 1.00000
