Pr2CdCu3
Alexandria ALEXAlex-ID: agm017339032 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4881_spg8
PrCu2 PrCd2
2025-04-13 18:41:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017339032).
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 agm017339032
data_agm017339032
_cell_length_a 5.48842
_cell_length_b 5.48842
_cell_length_c 7.15374
_cell_angle_alpha 56.64832
_cell_angle_beta 123.35168
_cell_angle_gamma 131.98195
_cell_volume 127.92621
_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 0.44188 0.55812 0.19210 1.00000
Pr2 Pr 0.55630 0.44370 0.80188 1.00000
Cd1 Cd 0.82764 0.17236 0.40577 1.00000
Cu1 Cu 0.18370 0.81630 0.60360 1.00000
Cu2 Cu 0.14142 0.85858 0.18965 1.00000
Cu3 Cu 0.84829 0.15171 0.80701 1.00000
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