SiBr
Alexandria ALEXAlex-ID: agm002020437 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_742_spg12
SiBr3 Si
2021-11-13 07:25:21.632033
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002020437).
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 agm002020437
data_agm002020437
_cell_length_a 3.95318
_cell_length_b 5.64181
_cell_length_c 6.61291
_cell_angle_alpha 100.47313
_cell_angle_beta 90.23609
_cell_angle_gamma 110.35336
_cell_volume 135.61291
_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
Si1 Si 0.31023 0.62138 0.51338 1.00000
Si2 Si 0.68977 0.37862 0.48662 1.00000
Br1 Br 0.60213 0.19804 0.77366 1.00000
Br2 Br 0.39787 0.80196 0.22634 1.00000
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