Rb2H7Cl
Alexandria ALEXAlex-ID: agm006201737 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1642_spg1
RbH7 RbCl
2023-11-02 03:27:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201737).
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 agm006201737
data_agm006201737
_cell_length_a 5.24856
_cell_length_b 5.47449
_cell_length_c 6.59080
_cell_angle_alpha 92.52705
_cell_angle_beta 87.81222
_cell_angle_gamma 111.52174
_cell_volume 175.95062
_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
H1 H 0.75656 0.76820 0.43021 1.00000
H2 H 0.11860 0.96112 0.83888 1.00000
H3 H 0.43598 0.57592 0.60293 1.00000
H4 H 0.87953 0.83719 0.35907 1.00000
H5 H 0.35950 0.85762 0.43598 1.00000
H6 H 0.34233 0.96298 0.37067 1.00000
H7 H 0.18618 0.88672 0.77023 1.00000
Rb1 Rb 0.85096 0.31882 0.56571 1.00000
Rb2 Rb 0.47108 0.62635 0.03519 1.00000
Cl1 Cl 0.83167 0.26248 0.05930 1.00000
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