Zn5In3Rh8
Alexandria ALEXAlex-ID: agm009630516 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8_8_spg166
Zn5In3Rh8
2024-04-20 23:55:55.860262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009630516).
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 agm009630516
data_agm009630516
_cell_length_a 14.60762
_cell_length_b 14.60762
_cell_length_c 14.60762
_cell_angle_alpha 17.27422
_cell_angle_beta 17.27422
_cell_angle_gamma 17.27422
_cell_volume 239.82711
_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 0.87583 0.87583 0.87583 1.00000
Zn2 Zn 0.62656 0.62656 0.62656 1.00000
Zn3 Zn 0.37344 0.37344 0.37344 1.00000
Zn4 Zn 0.12417 0.12417 0.12417 1.00000
Zn5 Zn 0.00000 0.00000 0.00000 1.00000
In1 In 0.74878 0.74878 0.74878 1.00000
In2 In 0.50000 0.50000 0.50000 1.00000
In3 In 0.25122 0.25122 0.25122 1.00000
Rh1 Rh 0.18794 0.18794 0.18794 1.00000
Rh2 Rh 0.93935 0.93935 0.93935 1.00000
Rh3 Rh 0.68625 0.68625 0.68625 1.00000
Rh4 Rh 0.43704 0.43704 0.43704 1.00000
Rh5 Rh 0.56296 0.56296 0.56296 1.00000
Rh6 Rh 0.31375 0.31375 0.31375 1.00000
Rh7 Rh 0.06065 0.06065 0.06065 1.00000
Rh8 Rh 0.81206 0.81206 0.81206 1.00000
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