Sr3SnBr2
Alexandria ALEXAlex-ID: agm034793564 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Sr2Sn SrBr2
2025-04-13 13:59:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034793564).
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 agm034793564
data_agm034793564
_cell_length_a 8.19278
_cell_length_b 8.19673
_cell_length_c 15.08162
_cell_angle_alpha 100.45519
_cell_angle_beta 100.40699
_cell_angle_gamma 109.46889
_cell_volume 906.71940
_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 0.73266 0.96107 0.92527 1.00000
Sr2 Sr 0.19129 0.46354 0.92472 1.00000
Sr3 Sr 0.26734 0.03893 0.07473 1.00000
Sr4 Sr 0.80871 0.53646 0.07528 1.00000
Sr5 Sr 0.90010 0.14969 0.25007 1.00000
Sr6 Sr 0.35038 0.59994 0.24994 1.00000
Sr7 Sr 0.96347 0.69139 0.42477 1.00000
Sr8 Sr 0.46094 0.23277 0.42515 1.00000
Sr9 Sr 0.03653 0.30861 0.57523 1.00000
Sr10 Sr 0.53906 0.76723 0.57485 1.00000
Sr11 Sr 0.09990 0.85031 0.74993 1.00000
Sr12 Sr 0.64962 0.40006 0.75006 1.00000
Sn1 Sn 0.95873 0.70915 0.91800 1.00000
Sn2 Sn 0.04127 0.29085 0.08200 1.00000
Sn3 Sn 0.20916 0.45906 0.41803 1.00000
Sn4 Sn 0.79084 0.54094 0.58197 1.00000
Br1 Br 0.37999 0.62961 0.76122 1.00000
Br2 Br 0.45077 0.19993 0.90142 1.00000
Br3 Br 0.54923 0.80007 0.09858 1.00000
Br4 Br 0.62001 0.37039 0.23878 1.00000
Br5 Br 0.12969 0.88005 0.26124 1.00000
Br6 Br 0.70024 0.95077 0.40141 1.00000
Br7 Br 0.29976 0.04923 0.59859 1.00000
Br8 Br 0.87031 0.11995 0.73876 1.00000
