SIO4
Alexandria ALEXAlex-ID: agm005772500 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3334_spg14
S4I2O15 S(IO3)2 I
2023-07-31 02:13:53.260545
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772500).
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 agm005772500
data_agm005772500
_cell_length_a 4.79358
_cell_length_b 5.09481
_cell_length_c 19.50233
_cell_angle_alpha 82.87982
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 472.61963
_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
S1 S 0.53972 0.25498 0.89577 1.00000
S2 S 0.03972 0.74502 0.60423 1.00000
S3 S 0.46028 0.74502 0.10423 1.00000
S4 S 0.96028 0.25498 0.39577 1.00000
I1 I 0.98488 0.70876 0.85152 1.00000
I2 I 0.48488 0.29124 0.64848 1.00000
I3 I 0.01512 0.29124 0.14848 1.00000
I4 I 0.51512 0.70876 0.35152 1.00000
O1 O 0.73673 0.12734 0.94476 1.00000
O2 O 0.23673 0.87266 0.55524 1.00000
O3 O 0.26327 0.87266 0.05524 1.00000
O4 O 0.76327 0.12734 0.44476 1.00000
O5 O 0.37508 0.45982 0.92531 1.00000
O6 O 0.87508 0.54018 0.57469 1.00000
O7 O 0.62492 0.54018 0.07469 1.00000
O8 O 0.12492 0.45982 0.42531 1.00000
O9 O 0.73021 0.41861 0.83098 1.00000
O10 O 0.23021 0.58139 0.66902 1.00000
O11 O 0.26979 0.58139 0.16902 1.00000
O12 O 0.76979 0.41861 0.33098 1.00000
O13 O 0.37741 0.08834 0.85429 1.00000
O14 O 0.87741 0.91166 0.64571 1.00000
O15 O 0.62259 0.91166 0.14571 1.00000
O16 O 0.12259 0.08834 0.35429 1.00000
