RbH4Cl
Alexandria ALEXAlex-ID: agm005771026 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2506_spg2
RbH4Cl
2023-07-10 18:49:40.160258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771026).
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 agm005771026
data_agm005771026
_cell_length_a 11.04712
_cell_length_b 5.41988
_cell_length_c 7.64705
_cell_angle_alpha 53.38490
_cell_angle_beta 83.85180
_cell_angle_gamma 125.50761
_cell_volume 215.36388
_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 0.75112 0.11789 0.40523 1.00000
Rb2 Rb 0.24889 0.88211 0.59477 1.00000
H1 H 0.38948 0.97104 0.14484 1.00000
H2 H 0.61052 0.02896 0.85516 1.00000
H3 H 0.55907 0.03205 0.79756 1.00000
H4 H 0.44092 0.96794 0.20245 1.00000
H5 H 0.08775 0.00002 0.27734 1.00000
H6 H 0.98605 0.12235 0.58460 1.00000
H7 H 0.01395 0.87765 0.41540 1.00000
H8 H 0.91225 0.99998 0.72266 1.00000
Cl1 Cl 0.74709 0.85218 0.12287 1.00000
Cl2 Cl 0.25292 0.14783 0.87713 1.00000
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