PrZn2(InAu)2
Alexandria ALEXAlex-ID: agm004552018 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_139_spg166
PrZn9Au2 PrZn3Au2 Pr2In5Au3 In2Au
2022-06-23 04:01:39.973139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004552018).
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 agm004552018
data_agm004552018
_cell_length_a 4.56886
_cell_length_b 4.56886
_cell_length_c 9.06629
_cell_angle_alpha 75.40591
_cell_angle_beta 75.40591
_cell_angle_gamma 60.00000
_cell_volume 156.80834
_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 0.74582 0.74582 0.76255 1.00000
Zn2 Zn 0.25418 0.25418 0.23745 1.00000
In1 In 0.13455 0.13455 0.59635 1.00000
In2 In 0.86545 0.86545 0.40365 1.00000
Au1 Au 0.59646 0.59646 0.21063 1.00000
Au2 Au 0.40354 0.40354 0.78937 1.00000
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