H6Rh4Au
Alexandria ALEXAlex-ID: agm007339658 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_844_spg8
H8Rh3 Au Rh
2024-03-15 23:47:55.453573
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007339658).
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 agm007339658
data_agm007339658
_cell_length_a 2.83558
_cell_length_b 5.78951
_cell_length_c 6.42648
_cell_angle_alpha 74.68750
_cell_angle_beta 77.24334
_cell_angle_gamma 89.96329
_cell_volume 99.05730
_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 0.60433 0.43393 0.10947 1.00000
H2 H 0.36062 0.16468 0.59509 1.00000
H3 H 0.54744 0.96852 0.22163 1.00000
H4 H 0.23598 0.29847 0.84733 1.00000
H5 H 0.92123 0.62878 0.47626 1.00000
H6 H 0.93485 0.08702 0.44658 1.00000
Rh1 Rh 0.76885 0.49632 0.78194 1.00000
Rh2 Rh 0.45140 0.43964 0.41435 1.00000
Rh3 Rh 0.39831 0.89280 0.51962 1.00000
Rh4 Rh 0.08676 0.20527 0.14598 1.00000
Au1 Au 0.69037 0.88452 0.94176 1.00000
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