Pr2Cu2Ni3
Alexandria ALEXAlex-ID: agm009353530 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_28_spg12
PrCu3Ni2 Pr3Ni4 PrCu2
2024-05-04 14:36:20.161942
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009353530).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009353530
data_agm009353530
_cell_length_a 5.29544
_cell_length_b 5.29544
_cell_length_c 6.92016
_cell_angle_alpha 64.87753
_cell_angle_beta 64.87753
_cell_angle_gamma 44.95050
_cell_volume 121.77030
_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 0.36280 0.36280 0.76363 1.00000
Pr2 Pr 0.63720 0.63720 0.23637 1.00000
Cu1 Cu 0.85367 0.85367 0.42713 1.00000
Cu2 Cu 0.14633 0.14633 0.57287 1.00000
Ni1 Ni 0.62819 0.62819 0.81250 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
Ni3 Ni 0.37181 0.37181 0.18750 1.00000
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