ReNiPd
Alexandria ALEXAlex-ID: agm005686974 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_741_spg8
ReNi4 Re3Ni Pd
2023-06-17 23:50:07.996616
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686974).
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 agm005686974
data_agm005686974
_cell_length_a 4.64994
_cell_length_b 2.72074
_cell_length_c 10.07785
_cell_angle_alpha 97.62791
_cell_angle_beta 138.14420
_cell_angle_gamma 90.11340
_cell_volume 83.33486
_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
Re1 Re 0.75421 0.76171 0.50081 1.00000
Re2 Re 0.24579 0.23829 0.49919 1.00000
Ni1 Ni 0.57870 0.58948 0.18883 1.00000
Ni2 Ni 0.42130 0.41052 0.81117 1.00000
Pd1 Pd 0.02092 0.07924 0.15417 1.00000
Pd2 Pd 0.97908 0.92076 0.84583 1.00000
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