Zn8Cu2Rh
Alexandria ALEXAlex-ID: agm003519084 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_445_spg12
Zn53Rh7 Zn8Cu5 Zn3Rh
2022-04-24 20:06:24.942257
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003519084).
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 agm003519084
data_agm003519084
_cell_length_a 4.10543
_cell_length_b 7.74393
_cell_length_c 6.37780
_cell_angle_alpha 52.61990
_cell_angle_beta 89.98570
_cell_angle_gamma 89.97644
_cell_volume 161.12142
_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 0.99995 0.03709 0.26428 1.00000
Zn2 Zn 0.99995 0.30137 0.73572 1.00000
Zn3 Zn 0.49972 0.33454 0.00000 1.00000
Zn4 Zn 0.50000 0.75006 0.49987 1.00000
Zn5 Zn 0.50000 0.24994 0.50013 1.00000
Zn6 Zn 0.50028 0.66546 1.00000 1.00000
Zn7 Zn 0.00005 0.69863 0.26428 1.00000
Zn8 Zn 0.00005 0.96291 0.73572 1.00000
Cu1 Cu 1.00000 0.37770 0.24459 1.00000
Cu2 Cu 0.00000 0.62230 0.75541 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
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