CuSnBr4
Alexandria ALEXAlex-ID: agm005837862 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1194_spg82
Cu3Br4 SnBr4 SnBr2
2023-07-28 03:47:23.477670
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005837862).
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 agm005837862
data_agm005837862
_cell_length_a 6.31359
_cell_length_b 6.31358
_cell_length_c 6.31352
_cell_angle_alpha 111.46474
_cell_angle_beta 111.46581
_cell_angle_gamma 105.55422
_cell_volume 193.05556
_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
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.75000 0.25000 0.50000 1.00000
Br1 Br 0.25766 0.26087 0.51794 1.00000
Br2 Br 0.74291 0.73970 0.48206 1.00000
Br3 Br 0.26027 0.74232 0.00319 1.00000
Br4 Br 0.73915 0.25710 0.99680 1.00000
