Pm2IO8
Alexandria ALEXAlex-ID: agm005879321 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2068_spg2
PmO8 PmIO4 PmO2
2023-10-20 10:31:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005879321).
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
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# CIF generated by HEAS from Alexandria entry agm005879321
data_agm005879321
_cell_length_a 4.34118
_cell_length_b 6.37324
_cell_length_c 7.73055
_cell_angle_alpha 92.24109
_cell_angle_beta 81.18052
_cell_angle_gamma 127.91627
_cell_volume 166.32279
_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 0.66634 0.47788 0.74608 1.00000
Pm2 Pm 0.33366 0.52212 0.25392 1.00000
I1 I 0.50000 0.00000 0.00000 1.00000
O1 O 0.05602 0.75245 0.17062 1.00000
O2 O 0.48288 0.28594 0.04567 1.00000
O3 O 0.74115 0.40998 0.44532 1.00000
O4 O 0.22234 0.92353 0.81018 1.00000
O5 O 0.25885 0.59002 0.55468 1.00000
O6 O 0.51712 0.71406 0.95433 1.00000
O7 O 0.94398 0.24755 0.82938 1.00000
O8 O 0.77766 0.07647 0.18982 1.00000
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