FeI5O3
Alexandria ALEXAlex-ID: agm072461237 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1282_spg1
Fe2O3 Fe(IO3)3 I
2024-09-24 22:23:59.109222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072461237).
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 agm072461237
data_agm072461237
_cell_length_a 4.26634
_cell_length_b 6.87734
_cell_length_c 11.89982
_cell_angle_alpha 80.02295
_cell_angle_beta 82.31658
_cell_angle_gamma 92.60811
_cell_volume 339.94130
_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
Fe1 Fe 0.96835 0.97094 0.07896 1.00000
I1 I 0.42853 0.07043 0.20292 1.00000
I2 I 0.94678 0.60481 0.08801 1.00000
I3 I 0.05854 0.16542 0.87823 1.00000
I4 I 0.64029 0.27079 0.51856 1.00000
I5 I 0.37000 0.76155 0.53524 1.00000
O1 O 0.65087 0.59575 0.46653 1.00000
O2 O 0.69689 0.93976 0.55651 1.00000
O3 O 0.23976 0.62054 0.67505 1.00000
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