Pr2Cu3Ni2
Alexandria ALEXAlex-ID: agm009095579 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_207_spg12
PrCu3Ni2 Pr3Ni4 PrCu2
2024-05-04 14:32:03.861872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009095579).
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 agm009095579
data_agm009095579
_cell_length_a 5.46092
_cell_length_b 5.46092
_cell_length_c 7.85097
_cell_angle_alpha 55.74226
_cell_angle_beta 55.74226
_cell_angle_gamma 43.87448
_cell_volume 128.97425
_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 0.81360 0.81360 0.26174 1.00000
Pr2 Pr 0.18640 0.18640 0.73826 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.47787 0.47787 0.72461 1.00000
Cu3 Cu 0.52213 0.52213 0.27539 1.00000
Ni1 Ni 0.19110 0.19110 0.10094 1.00000
Ni2 Ni 0.80890 0.80890 0.89906 1.00000
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