Sr3Ag(Br3Cl)2
Alexandria ALEXAlex-ID: agm004662425 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_0_spg164
SrBr2 AgBr SrCl2 Br
2022-06-26 22:38:28.042359
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004662425).
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 agm004662425
data_agm004662425
_cell_length_a 6.65962
_cell_length_b 8.85255
_cell_length_c 8.51650
_cell_angle_alpha 121.31411
_cell_angle_beta 93.65390
_cell_angle_gamma 90.00000
_cell_volume 427.75304
_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
Sr1 Sr 0.00000 0.50000 0.00000 1.00000
Sr2 Sr 0.50000 0.50000 0.50000 1.00000
Sr3 Sr 0.50000 0.00000 0.50000 1.00000
Ag1 Ag 0.50000 0.00000 0.00000 1.00000
Br1 Br 0.75810 0.32981 0.17366 1.00000
Br2 Br 0.24190 0.67019 0.82634 1.00000
Br3 Br 0.73129 0.86342 0.72684 1.00000
Br4 Br 0.26871 0.13658 0.27316 1.00000
Br5 Br 0.24190 0.15615 0.82634 1.00000
Br6 Br 0.75810 0.84385 0.17366 1.00000
Cl1 Cl 0.26803 0.66800 0.33600 1.00000
Cl2 Cl 0.73197 0.33200 0.66400 1.00000
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