Y8NiPd2
Alexandria ALEXAlex-ID: agm003528044 · 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
AB2C8_259_spg8
Y3Pd Y3Ni YPd
2022-03-16 03:53:18.641886
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003528044).
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 agm003528044
data_agm003528044
_cell_length_a 5.09131
_cell_length_b 6.74409
_cell_length_c 9.06027
_cell_angle_alpha 103.88407
_cell_angle_beta 106.31805
_cell_angle_gamma 90.00000
_cell_volume 289.08125
_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
Y1 Y 0.41077 0.55614 0.82155 1.00000
Y2 Y 0.66285 0.97567 0.32571 1.00000
Y3 Y 0.79573 0.67639 0.59146 1.00000
Y4 Y 0.96771 0.21294 0.93543 1.00000
Y5 Y 0.20427 0.32361 0.40854 1.00000
Y6 Y 0.33715 0.02433 0.67429 1.00000
Y7 Y 0.58923 0.44386 0.17845 1.00000
Y8 Y 0.03229 0.78706 0.06457 1.00000
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
Pd1 Pd 0.81002 0.26871 0.62004 1.00000
Pd2 Pd 0.18998 0.73129 0.37996 1.00000
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