Zn2Rh3Au2
Alexandria ALEXAlex-ID: agm009626596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_22_spg12
Zn6Rh5Au Au Rh
2024-06-02 04:07:27.414220
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009626596).
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 agm009626596
data_agm009626596
_cell_length_a 4.75197
_cell_length_b 4.75197
_cell_length_c 6.34481
_cell_angle_alpha 79.65734
_cell_angle_beta 79.65734
_cell_angle_gamma 49.18549
_cell_volume 106.29909
_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
Zn1 Zn 0.79533 0.79533 0.15475 1.00000
Zn2 Zn 0.20467 0.20467 0.84525 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.64234 0.64234 0.56473 1.00000
Rh3 Rh 0.35766 0.35766 0.43527 1.00000
Au1 Au 0.91771 0.91771 0.72787 1.00000
Au2 Au 0.08229 0.08229 0.27213 1.00000
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