Sr(SeS3)2
Alexandria ALEXAlex-ID: agm005773323 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3284_spg2
SeS7 Se SrS
2023-07-09 18:54:50.205557
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773323).
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
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# CIF generated by HEAS from Alexandria entry agm005773323
data_agm005773323
_cell_length_a 8.51228
_cell_length_b 10.01072
_cell_length_c 6.85008
_cell_angle_alpha 60.39149
_cell_angle_beta 35.06881
_cell_angle_gamma 59.54184
_cell_volume 285.38163
_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
Se1 Se 0.55060 0.82222 0.77781 1.00000
Se2 Se 0.44940 0.17778 0.22219 1.00000
S1 S 0.13830 0.42532 0.01473 1.00000
S2 S 0.54667 0.28474 0.32595 1.00000
S3 S 0.86170 0.57468 0.98527 1.00000
S4 S 0.27241 0.22613 0.86867 1.00000
S5 S 0.45333 0.71526 0.67405 1.00000
S6 S 0.72759 0.77387 0.13133 1.00000
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