H8Rh2AuS
Alexandria ALEXAlex-ID: agm007202250 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
H3S H8Rh3 Rh3S4 Au
2024-01-28 17:46:36.728323
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007202250).
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 agm007202250
data_agm007202250
_cell_length_a 5.86247
_cell_length_b 5.86247
_cell_length_c 5.86247
_cell_angle_alpha 51.70906
_cell_angle_beta 51.70906
_cell_angle_gamma 51.70906
_cell_volume 114.67725
_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 0.76931 0.76931 0.76931 1.00000
H2 H 0.44369 0.00977 0.71783 1.00000
H3 H 0.23069 0.23069 0.23069 1.00000
H4 H 0.00977 0.71783 0.44369 1.00000
H5 H 0.99023 0.28217 0.55631 1.00000
H6 H 0.71783 0.44369 0.00977 1.00000
H7 H 0.28217 0.55631 0.99023 1.00000
H8 H 0.55631 0.99023 0.28217 1.00000
Rh1 Rh 0.66565 0.66565 0.66565 1.00000
Rh2 Rh 0.33435 0.33435 0.33435 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
S1 S 0.50000 0.50000 0.50000 1.00000
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