Pa(ReO4)2
Alexandria ALEXAlex-ID: agm003522982 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_409_spg12
Pa2O5 ReO3 Re
2022-03-17 00:06:47.110535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003522982).
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 agm003522982
data_agm003522982
_cell_length_a 5.10623
_cell_length_b 5.85007
_cell_length_c 5.85007
_cell_angle_alpha 57.55228
_cell_angle_beta 98.29895
_cell_angle_gamma 98.29895
_cell_volume 145.45707
_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
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Re1 Re 0.49171 0.26297 0.26297 1.00000
Re2 Re 0.50829 0.73703 0.73703 1.00000
O1 O 0.72859 0.10523 0.61362 1.00000
O2 O 0.27141 0.38638 0.89477 1.00000
O3 O 0.73414 0.12947 0.12947 1.00000
O4 O 0.26586 0.87053 0.87053 1.00000
O5 O 0.72859 0.61362 0.10523 1.00000
O6 O 0.27141 0.89477 0.38638 1.00000
O7 O 0.27096 0.37428 0.37428 1.00000
O8 O 0.72904 0.62572 0.62572 1.00000
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