RbH4Au
Alexandria ALEXAlex-ID: agm007357764 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1107_spg65
RbH4Au
2024-02-09 07:45:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007357764).
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 agm007357764
data_agm007357764
_cell_length_a 5.25112
_cell_length_b 5.95118
_cell_length_c 5.89068
_cell_angle_alpha 91.43274
_cell_angle_beta 90.25473
_cell_angle_gamma 91.43167
_cell_volume 183.96835
_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 0.49804 0.25021 0.24899 1.00000
Rb2 Rb 0.50196 0.74979 0.75101 1.00000
H1 H 0.00072 0.74697 0.53177 1.00000
H2 H 0.68361 0.24800 0.74617 1.00000
H3 H 0.68748 0.74815 0.25013 1.00000
H4 H 0.00317 0.75318 0.97264 1.00000
H5 H 0.99928 0.25303 0.46823 1.00000
H6 H 0.31639 0.75200 0.25383 1.00000
H7 H 0.31252 0.25185 0.74987 1.00000
H8 H 0.99683 0.24682 0.02736 1.00000
Au1 Au 0.00193 0.75014 0.25214 1.00000
Au2 Au 0.99807 0.24986 0.74786 1.00000
Get direct link