Rb2H(NO3)2
Alexandria ALEXAlex-ID: agm004576972 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_0_spg12
RbNO3 RbN6 RbH3O2 H2O
2022-06-23 20:08:40.641574
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004576972).
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 agm004576972
data_agm004576972
_cell_length_a 5.63625
_cell_length_b 6.12021
_cell_length_c 6.88190
_cell_angle_alpha 110.10437
_cell_angle_beta 90.00000
_cell_angle_gamma 117.41697
_cell_volume 194.28746
_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 0.68774 0.37549 0.21476 1.00000
Rb2 Rb 0.31226 0.62451 0.78524 1.00000
H1 H 0.50000 0.00000 0.50000 1.00000
N1 N 0.99403 0.98807 0.76487 1.00000
N2 N 0.00597 0.01193 0.23513 1.00000
O1 O 0.86747 0.73493 0.67150 1.00000
O2 O 0.13811 0.88566 0.18876 1.00000
O3 O 0.25246 0.11434 0.81124 1.00000
O4 O 0.86189 0.11434 0.81124 1.00000
O5 O 0.74754 0.88566 0.18876 1.00000
O6 O 0.13253 0.26507 0.32850 1.00000
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