Ni6PdPt12
Alexandria ALEXAlex-ID: agm006118960 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_30_spg148
PdPt4 NiPt4 NiPt
2023-08-26 02:10:17.595624
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118960).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006118960
data_agm006118960
_cell_length_a 6.68694
_cell_length_b 7.21666
_cell_length_c 7.21666
_cell_angle_alpha 69.08989
_cell_angle_beta 72.00910
_cell_angle_gamma 107.99089
_cell_volume 272.82750
_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
Ni1 Ni 0.42177 0.47147 0.21369 1.00000
Ni2 Ni 0.04970 0.68516 0.52853 1.00000
Ni3 Ni 0.36454 0.78631 0.68516 1.00000
Ni4 Ni 0.57823 0.52853 0.78631 1.00000
Ni5 Ni 0.95030 0.31484 0.47147 1.00000
Ni6 Ni 0.63546 0.21369 0.31484 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.52039 0.84512 0.27186 1.00000
Pt2 Pt 0.67526 0.88301 0.84512 1.00000
Pt3 Pt 0.79225 0.27186 0.88301 1.00000
Pt4 Pt 0.47961 0.15488 0.72814 1.00000
Pt5 Pt 0.32474 0.11699 0.15488 1.00000
Pt6 Pt 0.20775 0.72814 0.11699 1.00000
Pt7 Pt 0.26352 0.43016 0.62601 1.00000
Pt8 Pt 0.11046 0.37399 0.05617 1.00000
Pt9 Pt 0.16664 0.05617 0.56984 1.00000
Pt10 Pt 0.73648 0.56984 0.37399 1.00000
Pt11 Pt 0.88954 0.62601 0.94383 1.00000
Pt12 Pt 0.83336 0.94383 0.43016 1.00000
获取直接链接