Pr(Zn5Rh)2
Alexandria ALEXAlex-ID: agm003386321 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C10_62_spg69
PrZn3Rh2 Zn3Rh Pr2Zn17
2022-02-12 12:16:58.096634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003386321).
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 agm003386321
data_agm003386321
_cell_length_a 5.46815
_cell_length_b 6.82317
_cell_length_c 6.79560
_cell_angle_alpha 80.72253
_cell_angle_beta 66.27606
_cell_angle_gamma 66.37775
_cell_volume 212.66887
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.35072 0.63906 0.65951 1.00000
Zn2 Zn 0.64928 0.36094 0.34049 1.00000
Zn3 Zn 0.98978 0.36094 0.65951 1.00000
Zn4 Zn 0.01022 0.63906 0.34049 1.00000
Zn5 Zn 0.00000 0.00000 0.50000 1.00000
Zn6 Zn 0.50000 0.00000 0.50000 1.00000
Zn7 Zn 0.27927 0.22214 0.21932 1.00000
Zn8 Zn 0.72073 0.77786 0.78068 1.00000
Zn9 Zn 0.50141 0.77786 0.21932 1.00000
Zn10 Zn 0.49859 0.22214 0.78068 1.00000
Rh1 Rh 0.00000 0.50000 0.00000 1.00000
Rh2 Rh 0.50000 0.50000 0.00000 1.00000
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