Rb6SO2
Alexandria ALEXAlex-ID: agm005758531 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_992_spg12
Rb3O Rb2S Rb2SO4
2023-07-09 00:30:10.114206
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758531).
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 agm005758531
data_agm005758531
_cell_length_a 5.51325
_cell_length_b 7.67539
_cell_length_c 9.26370
_cell_angle_alpha 72.49155
_cell_angle_beta 72.68814
_cell_angle_gamma 68.95194
_cell_volume 340.90014
_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 0.73526 0.63040 0.89907 1.00000
Rb2 Rb 0.26474 0.36960 0.10093 1.00000
Rb3 Rb 0.98035 0.85715 0.18215 1.00000
Rb4 Rb 0.34435 0.70391 0.60740 1.00000
Rb5 Rb 0.01965 0.14285 0.81785 1.00000
Rb6 Rb 0.65565 0.29609 0.39260 1.00000
S1 S 0.00000 0.50000 0.50000 1.00000
O1 O 0.17650 0.74456 0.90244 1.00000
O2 O 0.82350 0.25544 0.09756 1.00000
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