H6RhPbAu
Alexandria ALEXAlex-ID: agm007666068 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_506_spg1
PbAu2 H8Rh3 H6Pb H6Au
2024-02-10 17:06:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007666068).
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 agm007666068
data_agm007666068
_cell_length_a 4.87882
_cell_length_b 5.46954
_cell_length_c 4.74184
_cell_angle_alpha 106.91782
_cell_angle_beta 66.74727
_cell_angle_gamma 107.46193
_cell_volume 108.72955
_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 0.42426 0.04466 0.17055 1.00000
H2 H 0.13540 0.45181 0.82963 1.00000
H3 H 0.67516 0.25232 0.54425 1.00000
H4 H 0.40026 0.92002 0.76139 1.00000
H5 H 0.99053 0.45149 0.97902 1.00000
H6 H 0.41032 0.61802 0.21649 1.00000
Rh1 Rh 0.53666 0.93377 0.39296 1.00000
Pb1 Pb 0.88857 0.89869 0.73249 1.00000
Au1 Au 0.53902 0.42926 0.37314 1.00000
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