AgSeF3
Alexandria ALEXAlex-ID: agm003733175 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5668_spg2
Ag3SeF SeF4
2022-04-15 20:51:08.508211
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733175).
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
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# CIF generated by HEAS from Alexandria entry agm003733175
data_agm003733175
_cell_length_a 8.54806
_cell_length_b 6.31926
_cell_length_c 6.67512
_cell_angle_alpha 48.15726
_cell_angle_beta 40.14831
_cell_angle_gamma 51.83464
_cell_volume 168.76010
_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 0.36736 0.30681 0.95360 1.00000
Ag2 Ag 0.63264 0.69319 0.04641 1.00000
Se1 Se 0.82970 0.90600 0.42898 1.00000
Se2 Se 0.17030 0.09400 0.57102 1.00000
F1 F 0.84796 0.32599 0.69020 1.00000
F2 F 0.04958 0.79900 0.77252 1.00000
F3 F 0.51372 0.23936 0.50713 1.00000
F4 F 0.15204 0.67401 0.30980 1.00000
F5 F 0.95042 0.20100 0.22747 1.00000
F6 F 0.48628 0.76064 0.49287 1.00000
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