SiBrCl
Alexandria ALEXAlex-ID: agm005673054 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2040_spg12
SiBr3 Si SiCl4
2023-06-20 15:10:48.059749
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673054).
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 agm005673054
data_agm005673054
_cell_length_a 8.68105
_cell_length_b 8.68105
_cell_length_c 4.04680
_cell_angle_alpha 83.08426
_cell_angle_beta 83.08426
_cell_angle_gamma 127.98083
_cell_volume 231.14265
_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 0.71477 0.63346 0.55879 1.00000
Si2 Si 0.63346 0.71477 0.05879 1.00000
Br1 Br 0.79859 0.04592 0.92949 1.00000
Br2 Br 0.04592 0.79859 0.42949 1.00000
Cl1 Cl 0.55730 0.32587 0.67892 1.00000
Cl2 Cl 0.32587 0.55730 0.17892 1.00000
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