Sb2Se2Br
Alexandria ALEXAlex-ID: agm005409001 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1985_spg71
SbSeBr Sb2Se3 Sb
2023-03-17 20:55:38.278319
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005409001).
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 agm005409001
data_agm005409001
_cell_length_a 6.77265
_cell_length_b 6.77265
_cell_length_c 6.77265
_cell_angle_alpha 135.93460
_cell_angle_beta 135.93460
_cell_angle_gamma 64.08146
_cell_volume 148.23111
_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
Sb1 Sb 0.64465 0.64465 0.00000 1.00000
Sb2 Sb 0.35535 0.35535 0.00000 1.00000
Se1 Se 0.25000 0.75000 0.50000 1.00000
Se2 Se 0.75000 0.25000 0.50000 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
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