Pr4Zn2Cu
Alexandria ALEXAlex-ID: agm005992135 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_713_spg139
Pr4Zn3 Pr2Zn PrCu
2023-10-19 22:11:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992135).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005992135
data_agm005992135
_cell_length_a 6.33592
_cell_length_b 6.33592
_cell_length_c 6.33592
_cell_angle_alpha 109.52205
_cell_angle_beta 109.44581
_cell_angle_gamma 109.44581
_cell_volume 195.79728
_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 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.50000 0.50000 0.50000 1.00000
Pr3 Pr 0.00000 0.00000 0.50000 1.00000
Pr4 Pr 0.00000 0.50000 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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