SbHIO2
Alexandria ALEXAlex-ID: agm005014415 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1808_spg11
SbI3 H2O SbO2 I
2022-07-04 08:31:05.869689
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014415).
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 agm005014415
data_agm005014415
_cell_length_a 4.15653
_cell_length_b 6.40660
_cell_length_c 7.13312
_cell_angle_alpha 84.76053
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 189.15560
_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 0.75000 0.17635 0.58847 1.00000
Sb2 Sb 0.25000 0.82365 0.41153 1.00000
H1 H 0.25000 0.89253 0.05544 1.00000
H2 H 0.75000 0.10747 0.94456 1.00000
I1 I 0.75000 0.46089 0.19531 1.00000
I2 I 0.25000 0.53911 0.80469 1.00000
O1 O 0.75000 0.01830 0.83996 1.00000
O2 O 0.25000 0.98170 0.16004 1.00000
O3 O 0.25000 0.09617 0.53932 1.00000
O4 O 0.75000 0.90383 0.46068 1.00000
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