PrNi2
Alexandria ALEXAlex-ID: agm002296551 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_505_spg12
Pr2Ni7 Pr3Ni4
2019-01-06 10:37:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002296551).
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 agm002296551
data_agm002296551
_cell_length_a 4.17236
_cell_length_b 5.33236
_cell_length_c 8.19869
_cell_angle_alpha 100.92569
_cell_angle_beta 89.99035
_cell_angle_gamma 113.03116
_cell_volume 164.27302
_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 0.62066 0.24103 0.37470 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.37934 0.75897 0.62530 1.00000
Ni1 Ni 0.25788 0.51563 0.91796 1.00000
Ni2 Ni 0.91051 0.82128 0.36071 1.00000
Ni3 Ni 0.08949 0.17872 0.63929 1.00000
Ni4 Ni 0.74212 0.48437 0.08204 1.00000
Ni5 Ni 0.68053 0.36114 0.77761 1.00000
Ni6 Ni 0.31947 0.63886 0.22239 1.00000
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