Sr3SnI2
Alexandria ALEXAlex-ID: agm005756317 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Sr2Sn SrI2
2023-08-25 02:47:22.749099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756317).
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 agm005756317
data_agm005756317
_cell_length_a 8.53061
_cell_length_b 8.53054
_cell_length_c 15.46556
_cell_angle_alpha 100.63183
_cell_angle_beta 100.63219
_cell_angle_gamma 109.33055
_cell_volume 1006.50552
_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 0.15628 0.69294 0.81967 1.00000
Sr2 Sr 0.66339 0.12673 0.81967 1.00000
Sr3 Sr 0.09372 0.05706 0.68033 1.00000
Sr4 Sr 0.58661 0.62327 0.68033 1.00000
Sr5 Sr 0.03728 0.53728 0.50000 1.00000
Sr6 Sr 0.46272 0.96272 0.50000 1.00000
Sr7 Sr 0.37673 0.41339 0.31967 1.00000
Sr8 Sr 0.94294 0.90628 0.31967 1.00000
Sr9 Sr 0.87327 0.33661 0.18033 1.00000
Sr10 Sr 0.30706 0.84372 0.18033 1.00000
Sr11 Sr 0.21272 0.21272 1.00000 1.00000
Sr12 Sr 0.78728 0.78728 0.00000 1.00000
Sn1 Sn 0.91596 0.91596 0.83193 1.00000
Sn2 Sn 0.33404 0.83404 0.66807 1.00000
Sn3 Sn 0.16596 0.66596 0.33193 1.00000
Sn4 Sn 0.08404 0.08404 0.16807 1.00000
I1 I 0.99398 0.49398 0.98796 1.00000
I2 I 0.42309 0.42309 0.84617 1.00000
I3 I 0.82691 0.32691 0.65383 1.00000
I4 I 0.25602 0.25602 0.51204 1.00000
I5 I 0.74398 0.74398 0.48796 1.00000
I6 I 0.67309 0.17309 0.34617 1.00000
I7 I 0.57691 0.57691 0.15383 1.00000
I8 I 0.50602 0.00602 0.01204 1.00000
