RbNi(SO4)2
Alexandria ALEXAlex-ID: agm002175992 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_326_spg12
SO12 RbO12 NiSO4 Rb2S2O7
2023-03-26 13:59:20.639609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002175992).
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 agm002175992
data_agm002175992
_cell_length_a 4.92833
_cell_length_b 4.92996
_cell_length_c 9.36677
_cell_angle_alpha 62.60356
_cell_angle_beta 80.64495
_cell_angle_gamma 64.21475
_cell_volume 181.73534
_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
Ni1 Ni 0.00000 0.00000 0.50000 1.00000
S1 S 0.37298 0.18213 0.69074 1.00000
S2 S 0.62702 0.81787 0.30926 1.00000
O1 O 0.75570 0.46866 0.32317 1.00000
O2 O 0.68422 0.03704 0.14723 1.00000
O3 O 0.31578 0.96296 0.85277 1.00000
O4 O 0.75626 0.81499 0.44144 1.00000
O5 O 0.24374 0.18501 0.55856 1.00000
O6 O 0.70843 0.06717 0.67692 1.00000
O7 O 0.29157 0.93283 0.32308 1.00000
O8 O 0.24430 0.53134 0.67683 1.00000
Rb1 Rb 0.00000 0.50000 0.00000 1.00000
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