RbY(SeO3)2
Alexandria ALEXAlex-ID: agm060192250 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_297_spg14
RbY(SeO3)2
2025-01-29 02:08:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm060192250).
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 agm060192250
data_agm060192250
_cell_length_a 5.83059
_cell_length_b 6.73927
_cell_length_c 10.94956
_cell_angle_alpha 90.00000
_cell_angle_beta 121.80882
_cell_angle_gamma 90.00000
_cell_volume 365.63276
_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 0.50000 0.00000 0.00000 1.00000
Rb2 Rb 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Y2 Y 0.00000 0.50000 0.00000 1.00000
Se1 Se 0.73392 0.04811 0.73881 1.00000
Se2 Se 0.73392 0.45189 0.23881 1.00000
Se3 Se 0.26608 0.95189 0.26119 1.00000
Se4 Se 0.26608 0.54811 0.76119 1.00000
O1 O 0.17352 0.71123 0.62095 1.00000
O2 O 0.17352 0.78877 0.12095 1.00000
O3 O 0.82648 0.28877 0.37905 1.00000
O4 O 0.82648 0.21123 0.87905 1.00000
O5 O 0.58144 0.63869 0.88931 1.00000
O6 O 0.58144 0.86131 0.38931 1.00000
O7 O 0.41856 0.36131 0.11069 1.00000
O8 O 0.41856 0.13869 0.61069 1.00000
O9 O 0.06735 0.62570 0.82585 1.00000
O10 O 0.06735 0.87430 0.32585 1.00000
O11 O 0.93265 0.37430 0.17415 1.00000
O12 O 0.93265 0.12570 0.67415 1.00000
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