Rb2B2H5
Alexandria ALEXAlex-ID: agm007368727 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_419_spg12
Rb(BH)6 RbBH4 Rb
2024-05-29 07:17:54.056000
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007368727).
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 agm007368727
data_agm007368727
_cell_length_a 3.71048
_cell_length_b 4.80524
_cell_length_c 10.69212
_cell_angle_alpha 97.29939
_cell_angle_beta 80.26944
_cell_angle_gamma 89.81800
_cell_volume 186.31329
_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 0.40901 0.17932 0.18467 1.00000
Rb2 Rb 0.59099 0.82068 0.81533 1.00000
B1 B 0.16786 0.27988 0.65846 1.00000
B2 B 0.83214 0.72012 0.34154 1.00000
H1 H 0.80931 0.96224 0.38773 1.00000
H2 H 0.19069 0.03776 0.61227 1.00000
H3 H 0.80761 0.51295 0.39437 1.00000
H4 H 0.19239 0.48705 0.60563 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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