Sr4I3O2
Alexandria ALEXAlex-ID: agm005646708 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_727_spg74
Sr2I2O Sr SrO
2023-06-30 22:06:53.644275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646708).
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 agm005646708
data_agm005646708
_cell_length_a 7.67232
_cell_length_b 9.48929
_cell_length_c 11.10124
_cell_angle_alpha 115.30251
_cell_angle_beta 110.21606
_cell_angle_gamma 89.99999
_cell_volume 675.20330
_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 0.57635 0.46661 0.15271 1.00000
Sr2 Sr 0.92365 0.81390 0.84729 1.00000
Sr3 Sr 0.42365 0.53339 0.84729 1.00000
Sr4 Sr 0.07635 0.18610 0.15271 1.00000
Sr5 Sr 0.14503 0.14503 0.79005 1.00000
Sr6 Sr 0.35497 0.85497 0.20995 1.00000
Sr7 Sr 0.85497 0.85497 0.20995 1.00000
Sr8 Sr 0.64503 0.14503 0.79005 1.00000
I1 I 0.12620 0.58191 0.25241 1.00000
I2 I 0.37380 0.82950 0.74759 1.00000
I3 I 0.87380 0.41809 0.74759 1.00000
I4 I 0.62620 0.17050 0.25241 1.00000
I5 I 0.75000 0.85311 0.50000 1.00000
I6 I 0.25000 0.14689 0.50000 1.00000
O1 O 0.45073 0.31209 0.90147 1.00000
O2 O 0.04927 0.91063 0.09853 1.00000
O3 O 0.54927 0.68791 0.09853 1.00000
O4 O 0.95073 0.08937 0.90147 1.00000
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