Ag3Sb(Cl3F)2
Alexandria ALEXAlex-ID: agm078628073 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_757_spg5
Sb2F7 AgSbCl6 Ag3Cl4
2025-03-01 01:54:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078628073).
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 agm078628073
data_agm078628073
_cell_length_a 7.88539
_cell_length_b 7.88539
_cell_length_c 6.02650
_cell_angle_alpha 84.69914
_cell_angle_beta 95.30086
_cell_angle_gamma 120.80658
_cell_volume 320.02927
_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 0.50000 0.00000 0.00000 1.00000
Ag2 Ag 0.00000 0.50000 0.00000 1.00000
Ag3 Ag 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.00000 0.00000 0.50000 1.00000
Cl1 Cl 0.69840 0.86391 0.69302 1.00000
Cl2 Cl 0.30160 0.13609 0.30698 1.00000
Cl3 Cl 0.86391 0.69840 0.30698 1.00000
Cl4 Cl 0.13609 0.30160 0.69302 1.00000
Cl5 Cl 0.33863 0.66137 0.16191 1.00000
Cl6 Cl 0.66137 0.33863 0.83809 1.00000
F1 F 0.89074 0.10926 0.26217 1.00000
F2 F 0.10926 0.89074 0.73783 1.00000
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