Mn(IO3)2
Alexandria ALEXAlex-ID: agm003499415 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_856_spg15
Mn(IO3)2
2022-03-10 10:53:34.907609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003499415).
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 agm003499415
data_agm003499415
_cell_length_a 5.94165
_cell_length_b 7.06768
_cell_length_c 7.06768
_cell_angle_alpha 99.77207
_cell_angle_beta 81.59673
_cell_angle_gamma 81.59673
_cell_volume 284.86868
_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
Mn1 Mn 0.25000 0.08253 0.91747 1.00000
Mn2 Mn 0.75000 0.91747 0.08253 1.00000
I1 I 0.29375 0.55902 0.80404 1.00000
I2 I 0.20625 0.19596 0.44098 1.00000
I3 I 0.70625 0.44098 0.19596 1.00000
I4 I 0.79375 0.80404 0.55902 1.00000
O1 O 0.54440 0.69824 0.49121 1.00000
O2 O 0.95560 0.50879 0.30176 1.00000
O3 O 0.45560 0.30176 0.50879 1.00000
O4 O 0.04440 0.49121 0.69824 1.00000
O5 O 0.81084 0.96737 0.38261 1.00000
O6 O 0.68916 0.61739 0.03263 1.00000
O7 O 0.18916 0.03263 0.61739 1.00000
O8 O 0.31084 0.38261 0.96737 1.00000
O9 O 0.12502 0.80072 0.94949 1.00000
O10 O 0.37498 0.05051 0.19928 1.00000
O11 O 0.87498 0.19928 0.05051 1.00000
O12 O 0.62502 0.94949 0.80072 1.00000
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