Pm4IO10
Alexandria ALEXAlex-ID: agm005994708 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
PmIO4 PmO2
2023-08-08 10:06:29.297933
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994708).
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 agm005994708
data_agm005994708
_cell_length_a 5.57965
_cell_length_b 6.69445
_cell_length_c 6.69445
_cell_angle_alpha 79.99875
_cell_angle_beta 65.37126
_cell_angle_gamma 65.37127
_cell_volume 206.62864
_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 0.40213 0.79276 0.40299 1.00000
Pm2 Pm 0.80511 0.59701 0.79276 1.00000
Pm3 Pm 0.19489 0.40299 0.20724 1.00000
Pm4 Pm 0.59787 0.20724 0.59701 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
O1 O 0.25000 0.50000 0.50000 1.00000
O2 O 0.68057 0.27552 0.91954 1.00000
O3 O 0.04390 0.08046 0.27552 1.00000
O4 O 0.39989 0.91954 0.72448 1.00000
O5 O 0.87564 0.72448 0.08046 1.00000
O6 O 0.31943 0.72448 0.08046 1.00000
O7 O 0.75000 0.50000 0.50000 1.00000
O8 O 0.12436 0.27552 0.91954 1.00000
O9 O 0.60011 0.08046 0.27552 1.00000
O10 O 0.95610 0.91954 0.72448 1.00000
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