Mn3(IO)2
Alexandria ALEXAlex-ID: agm005550643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_258_spg12
Mn3(IO)2
2023-06-09 14:11:32.335457
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005550643).
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 agm005550643
data_agm005550643
_cell_length_a 3.98148
_cell_length_b 6.67449
_cell_length_c 6.45202
_cell_angle_alpha 69.46282
_cell_angle_beta 107.97162
_cell_angle_gamma 90.00003
_cell_volume 151.59540
_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 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.67305 0.16677 0.34610 1.00000
Mn3 Mn 0.32695 0.83323 0.65390 1.00000
I1 I 0.60830 0.65300 0.21661 1.00000
I2 I 0.39170 0.34700 0.78339 1.00000
O1 O 0.84760 0.92995 0.69520 1.00000
O2 O 0.15240 0.07005 0.30480 1.00000
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