Pm(IO3)2
Alexandria ALEXAlex-ID: agm005653828 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3032_spg15
PmIO4 I2O5 I
2023-07-09 02:35:02.122473
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653828).
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 agm005653828
data_agm005653828
_cell_length_a 7.95280
_cell_length_b 7.41183
_cell_length_c 7.41183
_cell_angle_alpha 98.68392
_cell_angle_beta 66.39805
_cell_angle_gamma 66.39806
_cell_volume 340.71375
_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
Pm1 Pm 0.25000 0.08598 0.91402 1.00000
Pm2 Pm 0.75000 0.91402 0.08598 1.00000
I1 I 0.31411 0.54621 0.73480 1.00000
I2 I 0.18589 0.26520 0.45379 1.00000
I3 I 0.68589 0.45379 0.26520 1.00000
I4 I 0.81411 0.73480 0.54621 1.00000
O1 O 0.54900 0.74535 0.59500 1.00000
O2 O 0.95100 0.40500 0.25465 1.00000
O3 O 0.45100 0.25465 0.40500 1.00000
O4 O 0.04900 0.59500 0.74535 1.00000
O5 O 0.79557 0.89278 0.37791 1.00000
O6 O 0.70443 0.62209 0.10722 1.00000
O7 O 0.20443 0.10722 0.62209 1.00000
O8 O 0.29557 0.37791 0.89278 1.00000
O9 O 0.15826 0.80901 0.95836 1.00000
O10 O 0.34174 0.04164 0.19099 1.00000
O11 O 0.84174 0.19099 0.04164 1.00000
O12 O 0.65826 0.95836 0.80901 1.00000
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