Rb2Pr(SeO3)2
Alexandria ALEXAlex-ID: agm004570541 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_422_spg12
RbSe4 Rb2SeO3 Pr2(SeO3)3 Pr2O3
2022-06-24 20:04:00.759904
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004570541).
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
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# CIF generated by HEAS from Alexandria entry agm004570541
data_agm004570541
_cell_length_a 6.37842
_cell_length_b 5.87029
_cell_length_c 7.61329
_cell_angle_alpha 109.17554
_cell_angle_beta 90.00000
_cell_angle_gamma 122.90716
_cell_volume 220.25083
_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 0.70331 0.40661 0.15310 1.00000
Rb2 Rb 0.29669 0.59339 0.84690 1.00000
Pr1 Pr 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.92562 0.85124 0.76589 1.00000
Se2 Se 0.07438 0.14876 0.23411 1.00000
O1 O 0.76147 0.52293 0.56568 1.00000
O2 O 0.22674 0.96876 0.25874 1.00000
O3 O 0.25798 0.03124 0.74126 1.00000
O4 O 0.77326 0.03124 0.74126 1.00000
O5 O 0.74202 0.96876 0.25874 1.00000
O6 O 0.23853 0.47707 0.43433 1.00000
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