Rb5HAu2
Alexandria ALEXAlex-ID: agm006014433 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_317_spg62
RbH Rb5Au3 Rb
2023-07-10 16:29:36.970214
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014433).
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 agm006014433
data_agm006014433
_cell_length_a 5.33194
_cell_length_b 15.72442
_cell_length_c 18.50247
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1551.27675
_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 0.25000 0.75323 0.86982 1.00000
Rb2 Rb 0.75000 0.24677 0.13018 1.00000
Rb3 Rb 0.75000 0.74677 0.36982 1.00000
Rb4 Rb 0.25000 0.25323 0.63018 1.00000
Rb5 Rb 0.25000 0.50726 0.35304 1.00000
Rb6 Rb 0.75000 0.49274 0.64696 1.00000
Rb7 Rb 0.75000 0.99274 0.85304 1.00000
Rb8 Rb 0.25000 0.00726 0.14696 1.00000
Rb9 Rb 0.25000 0.69992 0.52928 1.00000
Rb10 Rb 0.75000 0.30008 0.47072 1.00000
Rb11 Rb 0.75000 0.80008 0.02928 1.00000
Rb12 Rb 0.25000 0.19992 0.97072 1.00000
Rb13 Rb 0.75000 0.76403 0.70944 1.00000
Rb14 Rb 0.25000 0.23597 0.29056 1.00000
Rb15 Rb 0.25000 0.73597 0.20944 1.00000
Rb16 Rb 0.75000 0.26403 0.79056 1.00000
Rb17 Rb 0.25000 0.98515 0.60451 1.00000
Rb18 Rb 0.75000 0.01485 0.39549 1.00000
Rb19 Rb 0.75000 0.51485 0.10451 1.00000
Rb20 Rb 0.25000 0.48515 0.89549 1.00000
H1 H 0.75000 0.81196 0.86170 1.00000
H2 H 0.25000 0.18804 0.13830 1.00000
H3 H 0.25000 0.68804 0.36170 1.00000
H4 H 0.75000 0.31196 0.63830 1.00000
Au1 Au 0.25000 0.64643 0.03413 1.00000
Au2 Au 0.75000 0.35357 0.96587 1.00000
Au3 Au 0.75000 0.85357 0.53413 1.00000
Au4 Au 0.25000 0.14643 0.46587 1.00000
Au5 Au 0.25000 0.11737 0.78083 1.00000
Au6 Au 0.75000 0.88263 0.21917 1.00000
Au7 Au 0.75000 0.38263 0.28083 1.00000
Au8 Au 0.25000 0.61737 0.71917 1.00000
