Sr(S4Br)2
Alexandria ALEXAlex-ID: agm005963987 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2171_spg2
SrS20 S8Br SrBr2
2023-09-30 12:06:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963987).
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 agm005963987
data_agm005963987
_cell_length_a 4.43756
_cell_length_b 9.20163
_cell_length_c 10.95249
_cell_angle_alpha 57.53744
_cell_angle_beta 81.94030
_cell_angle_gamma 71.73076
_cell_volume 358.09846
_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
S1 S 0.10264 0.24242 0.45834 1.00000
S2 S 0.84386 0.41655 0.87967 1.00000
S3 S 0.84664 0.29015 0.30624 1.00000
S4 S 0.15336 0.70985 0.69376 1.00000
S5 S 0.15614 0.58345 0.12033 1.00000
S6 S 0.89736 0.75758 0.54166 1.00000
S7 S 0.37185 0.48524 0.30154 1.00000
S8 S 0.62815 0.51476 0.69846 1.00000
Br1 Br 0.44183 0.98006 0.19763 1.00000
Br2 Br 0.55817 0.01994 0.80237 1.00000
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