SrSbS2Br
Alexandria ALEXAlex-ID: agm005010340 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1656_spg11
Sr3Sb4S9 Sb2S3 SrBr2
2022-08-04 21:06:27.741769
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010340).
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 agm005010340
data_agm005010340
_cell_length_a 5.25674
_cell_length_b 7.53872
_cell_length_c 9.06337
_cell_angle_alpha 109.78732
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 337.96568
_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 0.25000 0.71542 0.94424 1.00000
Sr2 Sr 0.75000 0.28458 0.05576 1.00000
Sb1 Sb 0.25000 0.66676 0.43287 1.00000
Sb2 Sb 0.75000 0.33324 0.56713 1.00000
S1 S 0.75000 0.56591 0.42591 1.00000
S2 S 0.25000 0.43409 0.57409 1.00000
S3 S 0.75000 0.51916 0.84458 1.00000
S4 S 0.25000 0.48084 0.15542 1.00000
Br1 Br 0.25000 0.05524 0.83538 1.00000
Br2 Br 0.75000 0.94476 0.16462 1.00000
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