Pr3Re2O9
Alexandria ALEXAlex-ID: agm003237447 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_50_spg2
Pr(ReO4)3 Pr2ReO5 Re
2021-12-15 01:08:30.979319
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003237447).
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 agm003237447
data_agm003237447
_cell_length_a 5.65654
_cell_length_b 6.93113
_cell_length_c 11.14430
_cell_angle_alpha 77.07351
_cell_angle_beta 75.60068
_cell_angle_gamma 68.79524
_cell_volume 390.19467
_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 0.00815 0.21674 0.27026 1.00000
Pr2 Pr 0.99185 0.78326 0.72974 1.00000
Pr3 Pr 0.22819 0.15719 0.88409 1.00000
Pr4 Pr 0.77181 0.84281 0.11591 1.00000
Pr5 Pr 0.29291 0.60142 0.37329 1.00000
Pr6 Pr 0.70709 0.39858 0.62671 1.00000
Re1 Re 0.51689 0.38805 0.09179 1.00000
Re2 Re 0.48311 0.61195 0.90821 1.00000
Re3 Re 0.35078 0.12480 0.56899 1.00000
Re4 Re 0.64922 0.87520 0.43101 1.00000
O1 O 0.29131 0.42001 0.58220 1.00000
O2 O 0.70869 0.57999 0.41780 1.00000
O3 O 0.58781 0.07211 0.68494 1.00000
O4 O 0.41219 0.92789 0.31506 1.00000
O5 O 0.86467 0.19018 0.06090 1.00000
O6 O 0.13533 0.80982 0.93910 1.00000
O7 O 0.39399 0.16900 0.07390 1.00000
O8 O 0.60601 0.83100 0.92610 1.00000
O9 O 0.06515 0.11397 0.71678 1.00000
O10 O 0.93485 0.88603 0.28322 1.00000
O11 O 0.18618 0.50097 0.19579 1.00000
O12 O 0.81382 0.49903 0.80421 1.00000
O13 O 0.08692 0.21922 0.47156 1.00000
O14 O 0.91308 0.78078 0.52844 1.00000
O15 O 0.65178 0.52480 0.18146 1.00000
O16 O 0.34822 0.47520 0.81854 1.00000
O17 O 0.60172 0.18726 0.40986 1.00000
O18 O 0.39828 0.81274 0.59014 1.00000
