Sr(S2I)2
Alexandria ALEXAlex-ID: agm096284136 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_457_spg6
Sr(S3I)2 SrI2
2025-04-11 13:54:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096284136).
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 agm096284136
data_agm096284136
_cell_length_a 5.36996
_cell_length_b 6.49490
_cell_length_c 9.22033
_cell_angle_alpha 59.38055
_cell_angle_beta 118.42227
_cell_angle_gamma 93.02611
_cell_volume 235.62085
_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 0.99937 0.49913 0.00072 1.00000
S1 S 0.31730 0.61992 0.72636 1.00000
S2 S 0.77443 0.59267 0.38282 1.00000
S3 S 0.22508 0.40883 0.61565 1.00000
S4 S 0.68162 0.37976 0.27364 1.00000
I1 I 0.00253 0.99962 0.00032 1.00000
I2 I 0.49968 0.00006 0.50050 1.00000
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