Sr(InBr2)2
Alexandria ALEXAlex-ID: agm013813611 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_414_spg12
InBr SrBr2
2025-04-30 02:22:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013813611).
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 agm013813611
data_agm013813611
_cell_length_a 4.52517
_cell_length_b 7.82451
_cell_length_c 8.89335
_cell_angle_alpha 71.45759
_cell_angle_beta 75.40876
_cell_angle_gamma 73.11506
_cell_volume 281.21935
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
In1 In 0.37872 0.52741 0.70908 1.00000
In2 In 0.62128 0.47259 0.29092 1.00000
Br1 Br 0.04026 0.25434 0.66135 1.00000
Br2 Br 0.95974 0.74566 0.33865 1.00000
Br3 Br 0.34105 0.25211 0.06498 1.00000
Br4 Br 0.65895 0.74789 0.93502 1.00000
Get direct link