Sr2MnIO6
Alexandria ALEXAlex-ID: agm004953151 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_468_spg2
Sr5(IO6)2 Mn2O3 SrMnIO2 I
2022-07-30 18:13:17.949771
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004953151).
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 agm004953151
data_agm004953151
_cell_length_a 5.83253
_cell_length_b 5.83684
_cell_length_c 5.77471
_cell_angle_alpha 59.56876
_cell_angle_beta 59.65524
_cell_angle_gamma 59.97074
_cell_volume 138.16009
_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
Sr1 Sr 0.56614 0.56624 0.30392 1.00000
Sr2 Sr 0.06618 0.06613 0.79904 1.00000
Mn1 Mn 0.81617 0.81618 0.55147 1.00000
I1 I 0.31616 0.31616 0.05152 1.00000
O1 O 0.55899 0.13599 0.29566 1.00000
O2 O 0.13302 0.01198 0.30501 1.00000
O3 O 0.01385 0.55959 0.29544 1.00000
O4 O 0.49930 0.62032 0.79809 1.00000
O5 O 0.61844 0.07268 0.80765 1.00000
O6 O 0.07334 0.49634 0.80739 1.00000
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