In(IO3)2
Alexandria ALEXAlex-ID: agm097115463 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1720_spg2
In2O3 In(IO3)3 I
2025-04-07 04:46:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097115463).
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
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# CIF generated by HEAS from Alexandria entry agm097115463
data_agm097115463
_cell_length_a 4.18232
_cell_length_b 4.01095
_cell_length_c 9.55429
_cell_angle_alpha 77.65947
_cell_angle_beta 101.35767
_cell_angle_gamma 91.54112
_cell_volume 153.48528
_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
In1 In 0.65735 0.62618 0.27704 1.00000
I1 I 0.17365 0.22928 0.03861 1.00000
I2 I 0.76073 0.66864 0.65574 1.00000
O1 O 0.34674 0.63991 0.95419 1.00000
O2 O 0.75334 0.43391 0.50378 1.00000
O3 O 0.11510 0.68828 0.20907 1.00000
O4 O 0.79341 0.27664 0.80024 1.00000
O5 O 0.56966 0.16505 0.19533 1.00000
O6 O 0.33003 0.77212 0.61600 1.00000
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