Sr3SnI2
Alexandria ALEXAlex-ID: agm020031875 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1890_spg9
Sr2Sn SrI2
2025-04-14 09:04:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020031875).
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 agm020031875
data_agm020031875
_cell_length_a 8.41487
_cell_length_b 8.42010
_cell_length_c 8.43238
_cell_angle_alpha 100.32608
_cell_angle_beta 100.34360
_cell_angle_gamma 118.19210
_cell_volume 493.42033
_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 0.63709 0.77865 0.99717 1.00000
Sr2 Sr 0.77863 0.63689 0.49752 1.00000
Sr3 Sr 0.00000 0.50000 0.00000 1.00000
Sr4 Sr 0.36291 0.22135 0.00283 1.00000
Sr5 Sr 0.50000 0.00000 0.50000 1.00000
Sr6 Sr 0.22137 0.36311 0.50248 1.00000
Sn1 Sn 0.59573 0.40377 0.74998 1.00000
Sn2 Sn 0.40427 0.59623 0.25002 1.00000
I1 I 0.92065 0.07801 0.75080 1.00000
I2 I 0.23740 0.76242 0.74988 1.00000
I3 I 0.07935 0.92199 0.24920 1.00000
I4 I 0.76260 0.23758 0.25012 1.00000
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