In2SiBr4
Alexandria ALEXAlex-ID: agm095980378 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6183_spg47
SiBr3 In2Br3 Si
2025-04-11 12:52:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095980378).
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 agm095980378
data_agm095980378
_cell_length_a 4.91433
_cell_length_b 6.48473
_cell_length_c 8.55177
_cell_angle_alpha 94.78090
_cell_angle_beta 88.38715
_cell_angle_gamma 94.46392
_cell_volume 270.69226
_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
In1 In 0.01153 0.86296 0.04906 1.00000
In2 In 0.77520 0.62841 0.49195 1.00000
Si1 Si 0.46035 0.20750 0.92694 1.00000
Br1 Br 0.38403 0.53493 0.83346 1.00000
Br2 Br 0.31813 0.83101 0.34583 1.00000
Br3 Br 0.77314 0.10168 0.72276 1.00000
Br4 Br 0.77762 0.33351 0.13001 1.00000
Get direct link