Pr3ZnNi2
Alexandria ALEXAlex-ID: agm005675751 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2103_spg64
PrZn PrNi
2023-08-23 13:38:37.266652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005675751).
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 agm005675751
data_agm005675751
_cell_length_a 8.43129
_cell_length_b 9.20471
_cell_length_c 8.42742
_cell_angle_alpha 90.00000
_cell_angle_beta 114.96923
_cell_angle_gamma 90.00000
_cell_volume 592.90223
_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 0.33727 0.94994 0.09160 1.00000
Pr2 Pr 0.16273 0.44994 0.40840 1.00000
Pr3 Pr 0.66273 0.05006 0.90840 1.00000
Pr4 Pr 0.83727 0.55006 0.59160 1.00000
Pr5 Pr 0.40877 0.55065 0.16274 1.00000
Pr6 Pr 0.09123 0.05065 0.33726 1.00000
Pr7 Pr 0.59123 0.44935 0.83726 1.00000
Pr8 Pr 0.90877 0.94935 0.66274 1.00000
Pr9 Pr 0.83654 0.71748 0.16338 1.00000
Pr10 Pr 0.66346 0.21748 0.33662 1.00000
Pr11 Pr 0.16346 0.28252 0.83662 1.00000
Pr12 Pr 0.33654 0.78252 0.66338 1.00000
Zn1 Zn 0.54744 0.81788 0.45281 1.00000
Zn2 Zn 0.95256 0.31788 0.04719 1.00000
Zn3 Zn 0.45256 0.18212 0.54719 1.00000
Zn4 Zn 0.04744 0.68212 0.95281 1.00000
Ni1 Ni 0.71220 0.93634 0.28761 1.00000
Ni2 Ni 0.78780 0.43634 0.21239 1.00000
Ni3 Ni 0.28780 0.06366 0.71239 1.00000
Ni4 Ni 0.21220 0.56366 0.78761 1.00000
Ni5 Ni 0.21631 0.75024 0.28357 1.00000
Ni6 Ni 0.28369 0.25024 0.21643 1.00000
Ni7 Ni 0.78369 0.24976 0.71643 1.00000
Ni8 Ni 0.71631 0.74976 0.78357 1.00000
