Rb2H5N2
Alexandria ALEXAlex-ID: agm007371265 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1032_spg12
RbH2N Rb3H12N5 RbH
2024-02-10 16:20:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007371265).
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
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# CIF generated by HEAS from Alexandria entry agm007371265
data_agm007371265
_cell_length_a 19.99695
_cell_length_b 4.34841
_cell_length_c 7.22472
_cell_angle_alpha 30.98274
_cell_angle_beta 104.26328
_cell_angle_gamma 76.83210
_cell_volume 148.88321
_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 0.18741 0.56274 0.53323 1.00000
Rb2 Rb 0.81259 0.43726 0.46677 1.00000
H1 H 0.44651 0.29389 0.60752 1.00000
H2 H 0.55349 0.70611 0.39248 1.00000
H3 H 0.57137 0.26813 0.82868 1.00000
H4 H 0.42863 0.73187 0.17132 1.00000
H5 H 0.00000 0.00000 1.00000 1.00000
N1 N 0.38213 0.09031 0.08454 1.00000
N2 N 0.61787 0.90969 0.91546 1.00000
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