PrIO9
Alexandria ALEXAlex-ID: agm006229828 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC9_32_spg14
PrO9 Pr(IO3)3
2024-10-22 01:33:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006229828).
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 agm006229828
data_agm006229828
_cell_length_a 10.04195
_cell_length_b 7.20602
_cell_length_c 11.59847
_cell_angle_alpha 52.62238
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 666.94640
_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
Pr1 Pr 0.39407 0.76659 0.98417 1.00000
Pr2 Pr 0.60593 0.23341 0.01583 1.00000
Pr3 Pr 0.89407 0.23341 0.51583 1.00000
Pr4 Pr 0.10593 0.76659 0.48417 1.00000
I1 I 0.21485 0.08715 0.66814 1.00000
I2 I 0.78515 0.91285 0.33186 1.00000
I3 I 0.71485 0.91285 0.83186 1.00000
I4 I 0.28515 0.08715 0.16814 1.00000
O1 O 0.09613 0.98012 0.59230 1.00000
O2 O 0.90387 0.01988 0.40770 1.00000
O3 O 0.59613 0.01988 0.90770 1.00000
O4 O 0.40387 0.98012 0.09230 1.00000
O5 O 0.80149 0.84665 0.71235 1.00000
O6 O 0.19851 0.15335 0.28765 1.00000
O7 O 0.30149 0.15335 0.78765 1.00000
O8 O 0.69851 0.84665 0.21235 1.00000
O9 O 0.18940 0.56706 0.18508 1.00000
O10 O 0.81060 0.43294 0.81492 1.00000
O11 O 0.68940 0.43294 0.31492 1.00000
O12 O 0.31060 0.56706 0.68508 1.00000
O13 O 0.33748 0.83655 0.74914 1.00000
O14 O 0.66252 0.16345 0.25086 1.00000
O15 O 0.83748 0.16345 0.75086 1.00000
O16 O 0.16252 0.83655 0.24914 1.00000
O17 O 0.47858 0.50284 0.25650 1.00000
O18 O 0.52142 0.49716 0.74350 1.00000
O19 O 0.97858 0.49716 0.24350 1.00000
O20 O 0.02142 0.50284 0.75650 1.00000
O21 O 0.56695 0.40696 0.35775 1.00000
O22 O 0.43305 0.59304 0.64225 1.00000
O23 O 0.06695 0.59304 0.14225 1.00000
O24 O 0.93305 0.40696 0.85775 1.00000
O25 O 0.83326 0.74828 0.98250 1.00000
O26 O 0.16674 0.25172 0.01750 1.00000
O27 O 0.33326 0.25172 0.51750 1.00000
O28 O 0.66674 0.74828 0.48250 1.00000
O29 O 0.59728 0.65441 0.91504 1.00000
O30 O 0.40272 0.34559 0.08496 1.00000
O31 O 0.09728 0.34559 0.58496 1.00000
O32 O 0.90272 0.65441 0.41504 1.00000
O33 O 0.13633 0.89380 0.85653 1.00000
O34 O 0.86367 0.10620 0.14347 1.00000
O35 O 0.63633 0.10620 0.64347 1.00000
O36 O 0.36367 0.89380 0.35653 1.00000
