Rb2H5Au2
Alexandria ALEXAlex-ID: agm007312928 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_129_spg46
RbH4Au RbH2Au
2024-02-10 14:57:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007312928).
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 agm007312928
data_agm007312928
_cell_length_a 8.44666
_cell_length_b 8.44666
_cell_length_c 6.49160
_cell_angle_alpha 67.40357
_cell_angle_beta 67.40357
_cell_angle_gamma 45.19427
_cell_volume 298.79330
_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 0.11109 0.61114 0.35154 1.00000
Rb2 Rb 0.86100 0.36123 0.60165 1.00000
Rb3 Rb 0.61114 0.11109 0.85154 1.00000
Rb4 Rb 0.36123 0.86100 0.10165 1.00000
H1 H 0.67841 0.81463 0.28418 1.00000
H2 H 0.17854 0.31450 0.14815 1.00000
H3 H 0.81463 0.67841 0.78418 1.00000
H4 H 0.31450 0.17854 0.64815 1.00000
H5 H 0.04373 0.90771 0.91892 1.00000
H6 H 0.86126 0.36096 0.10151 1.00000
H7 H 0.90771 0.04373 0.41892 1.00000
H8 H 0.36096 0.86126 0.60151 1.00000
H9 H 0.40762 0.54379 0.55500 1.00000
H10 H 0.54379 0.40762 0.05500 1.00000
Au1 Au 0.99451 0.49435 0.96824 1.00000
Au2 Au 0.49435 0.99451 0.46824 1.00000
Au3 Au 0.22776 0.72785 0.73485 1.00000
Au4 Au 0.72785 0.22776 0.23485 1.00000
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