Cs3Ag2Br3Cl2
Alexandria ALEXAlex-ID: agm004487652 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D3_0_spg139
CsAg2Br3 Cs2AgBr3 Cs2AgCl3
2022-06-17 12:19:37.040664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004487652).
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 agm004487652
data_agm004487652
_cell_length_a 5.20879
_cell_length_b 5.20879
_cell_length_c 14.72373
_cell_angle_alpha 100.18833
_cell_angle_beta 100.18833
_cell_angle_gamma 90.00000
_cell_volume 386.77637
_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
Cs1 Cs 0.63958 0.63958 0.27916 1.00000
Cs2 Cs 0.36042 0.36042 0.72084 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.78145 0.78145 0.56291 1.00000
Ag2 Ag 0.21855 0.21855 0.43709 1.00000
Br1 Br 0.87534 0.87534 0.75067 1.00000
Br2 Br 0.50000 0.50000 0.00000 1.00000
Br3 Br 0.12466 0.12466 0.24933 1.00000
Cl1 Cl 0.75000 0.25000 0.50000 1.00000
Cl2 Cl 0.25000 0.75000 0.50000 1.00000
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