Sb2I3O
Alexandria ALEXAlex-ID: agm003428293 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_82_spg12
Sb3IO4 SbI3 Sb
2022-02-13 21:56:36.617791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428293).
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 agm003428293
data_agm003428293
_cell_length_a 3.99049
_cell_length_b 9.90968
_cell_length_c 11.79890
_cell_angle_alpha 76.87196
_cell_angle_beta 80.26426
_cell_angle_gamma 78.38450
_cell_volume 441.34346
_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
Sb1 Sb 0.87245 0.45060 0.80450 1.00000
Sb2 Sb 0.12755 0.54940 0.19550 1.00000
Sb3 Sb 0.59152 0.36233 0.45462 1.00000
Sb4 Sb 0.40848 0.63767 0.54538 1.00000
I1 I 0.04429 0.20324 0.70819 1.00000
I2 I 0.95571 0.79676 0.29181 1.00000
I3 I 0.64995 0.69505 0.00506 1.00000
I4 I 0.35005 0.30495 0.99494 1.00000
I5 I 0.76347 0.82451 0.64854 1.00000
I6 I 0.23653 0.17549 0.35146 1.00000
O1 O 0.39055 0.51031 0.70858 1.00000
O2 O 0.60945 0.48969 0.29142 1.00000
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