Ag3SeF2
Alexandria ALEXAlex-ID: agm005601293 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Ag3SeF Ag SeF4
2023-08-17 19:46:10.982815
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005601293).
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 agm005601293
data_agm005601293
_cell_length_a 5.28620
_cell_length_b 7.40614
_cell_length_c 10.94212
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00002
_cell_angle_gamma 90.04767
_cell_volume 428.38730
_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
Ag1 Ag 0.25042 0.64639 0.58506 1.00000
Ag2 Ag 0.25042 0.14639 0.91494 1.00000
Ag3 Ag 0.25071 0.62047 0.91892 1.00000
Ag4 Ag 0.25071 0.12047 0.58108 1.00000
Ag5 Ag 0.24963 0.64160 0.25625 1.00000
Ag6 Ag 0.24963 0.14160 0.24375 1.00000
Ag7 Ag 0.75037 0.85840 0.75625 1.00000
Ag8 Ag 0.75037 0.35840 0.74375 1.00000
Ag9 Ag 0.74929 0.87953 0.41892 1.00000
Ag10 Ag 0.74929 0.37953 0.08108 1.00000
Ag11 Ag 0.74958 0.85361 0.08506 1.00000
Ag12 Ag 0.74958 0.35361 0.41494 1.00000
Se1 Se 0.24962 0.88222 0.07268 1.00000
Se2 Se 0.24962 0.38222 0.42732 1.00000
Se3 Se 0.75038 0.61778 0.57268 1.00000
Se4 Se 0.75038 0.11778 0.92732 1.00000
F1 F 0.25042 0.88249 0.71735 1.00000
F2 F 0.25042 0.38249 0.78265 1.00000
F3 F 0.24953 0.89617 0.38929 1.00000
F4 F 0.24953 0.39617 0.11071 1.00000
F5 F 0.75047 0.60383 0.88929 1.00000
F6 F 0.75047 0.10383 0.61071 1.00000
F7 F 0.74958 0.61751 0.21735 1.00000
F8 F 0.74958 0.11751 0.28265 1.00000
