ReH6Rh2Au
Alexandria ALEXAlex-ID: agm007303539 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2050_spg148
Re3Rh H6Au H8Rh3 Au
2024-03-15 23:36:33.803919
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007303539).
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
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# CIF generated by HEAS from Alexandria entry agm007303539
data_agm007303539
_cell_length_a 2.75039
_cell_length_b 4.30845
_cell_length_c 8.21229
_cell_angle_alpha 84.69505
_cell_angle_beta 90.55067
_cell_angle_gamma 89.97866
_cell_volume 96.89342
_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
Re1 Re 0.00000 0.00000 0.00000 1.00000
H1 H 0.00813 0.53252 0.31226 1.00000
H2 H 0.00592 0.17787 0.19613 1.00000
H3 H 0.99187 0.46748 0.68774 1.00000
H4 H 0.49520 0.12131 0.84528 1.00000
H5 H 0.99408 0.82213 0.80387 1.00000
H6 H 0.50480 0.87869 0.15472 1.00000
Rh1 Rh 0.49561 0.53049 0.83578 1.00000
Rh2 Rh 0.50439 0.46951 0.16422 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
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