RbHSeO4
Alexandria ALEXAlex-ID: agm007654878 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_1009_spg14
RbHSeO4
2024-12-21 17:16:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007654878).
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 agm007654878
data_agm007654878
_cell_length_a 8.17001
_cell_length_b 6.51810
_cell_length_c 11.33921
_cell_angle_alpha 90.00000
_cell_angle_beta 123.73521
_cell_angle_gamma 90.00000
_cell_volume 502.16620
_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 0.21824 0.18340 0.86365 1.00000
Rb2 Rb 0.78176 0.68340 0.63635 1.00000
Rb3 Rb 0.78176 0.81660 0.13635 1.00000
Rb4 Rb 0.21824 0.31660 0.36365 1.00000
H1 H 0.44633 0.02748 0.69309 1.00000
H2 H 0.55367 0.52748 0.80691 1.00000
H3 H 0.55367 0.97252 0.30691 1.00000
H4 H 0.44633 0.47252 0.19309 1.00000
Se1 Se 0.24156 0.75114 0.59328 1.00000
Se2 Se 0.75844 0.25114 0.90672 1.00000
Se3 Se 0.75844 0.24886 0.40672 1.00000
Se4 Se 0.24156 0.74886 0.09328 1.00000
O1 O 0.18367 0.77931 0.71037 1.00000
O2 O 0.81633 0.27931 0.78963 1.00000
O3 O 0.81633 0.22069 0.28963 1.00000
O4 O 0.18367 0.72069 0.21037 1.00000
O5 O 0.05772 0.71155 0.42864 1.00000
O6 O 0.94228 0.21155 0.07136 1.00000
O7 O 0.94228 0.28845 0.57136 1.00000
O8 O 0.05772 0.78845 0.92864 1.00000
O9 O 0.41847 0.57464 0.64362 1.00000
O10 O 0.58153 0.07464 0.85638 1.00000
O11 O 0.58153 0.42536 0.35638 1.00000
O12 O 0.41847 0.92536 0.14362 1.00000
O13 O 0.34959 0.98509 0.58850 1.00000
O14 O 0.65041 0.48509 0.91150 1.00000
O15 O 0.65041 0.01491 0.41150 1.00000
O16 O 0.34959 0.51491 0.08850 1.00000
