Rb2Pr(ReO4)3
Alexandria ALEXAlex-ID: agm004493085 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_24_spg166
RbReO4 Pr(ReO4)3 Pr2ReO5 Re
2022-06-20 20:41:35.175084
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004493085).
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 agm004493085
data_agm004493085
_cell_length_a 7.62600
_cell_length_b 7.62600
_cell_length_c 7.62600
_cell_angle_alpha 58.47740
_cell_angle_beta 58.47740
_cell_angle_gamma 58.47740
_cell_volume 302.67475
_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
Rb1 Rb 0.61939 0.61939 0.61939 1.00000
Rb2 Rb 0.38061 0.38061 0.38061 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Re1 Re 0.50000 0.00000 0.00000 1.00000
Re2 Re 0.00000 0.50000 0.00000 1.00000
Re3 Re 0.00000 0.00000 0.50000 1.00000
O1 O 0.29605 0.29605 0.92512 1.00000
O2 O 0.91362 0.91362 0.37856 1.00000
O3 O 0.37856 0.91362 0.91362 1.00000
O4 O 0.92512 0.29605 0.29605 1.00000
O5 O 0.91362 0.37856 0.91362 1.00000
O6 O 0.29605 0.92512 0.29605 1.00000
O7 O 0.70395 0.70395 0.07488 1.00000
O8 O 0.08638 0.08638 0.62144 1.00000
O9 O 0.62144 0.08638 0.08638 1.00000
O10 O 0.07488 0.70395 0.70395 1.00000
O11 O 0.08638 0.62144 0.08638 1.00000
O12 O 0.70395 0.07488 0.70395 1.00000
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