RbB2H8Se
Alexandria ALEXAlex-ID: agm007448036 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_41_spg12
RbBH4 Rb(BH)6 H3Se BH9
2024-02-09 05:29:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448036).
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 agm007448036
data_agm007448036
_cell_length_a 5.44082
_cell_length_b 5.44082
_cell_length_c 7.34115
_cell_angle_alpha 68.35764
_cell_angle_beta 68.35764
_cell_angle_gamma 55.31736
_cell_volume 162.47393
_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 0.00000 0.00000 0.50000 1.00000
B1 B 0.39357 0.39357 0.24672 1.00000
B2 B 0.60643 0.60643 0.75328 1.00000
H1 H 0.35862 0.35862 0.42698 1.00000
H2 H 0.29058 0.29058 0.19476 1.00000
H3 H 0.64138 0.64138 0.57302 1.00000
H4 H 0.30990 0.67323 0.16005 1.00000
H5 H 0.69010 0.32677 0.83995 1.00000
H6 H 0.67323 0.30990 0.16005 1.00000
H7 H 0.32677 0.69010 0.83995 1.00000
H8 H 0.70942 0.70942 0.80524 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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