V2Ni5Pd4
Alexandria ALEXAlex-ID: agm005684166 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_160_spg71
V(NiPd3)2 VNi3 VNiPd4
2023-06-22 16:49:11.169847
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684166).
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 agm005684166
data_agm005684166
_cell_length_a 3.96672
_cell_length_b 6.60152
_cell_length_c 6.60152
_cell_angle_alpha 66.09808
_cell_angle_beta 72.51594
_cell_angle_gamma 72.51594
_cell_volume 147.54343
_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
V1 V 0.85802 0.14198 0.14198 1.00000
V2 V 0.14198 0.85802 0.85802 1.00000
Ni1 Ni 0.72822 0.60927 0.93428 1.00000
Ni2 Ni 0.27178 0.39073 0.06572 1.00000
Ni3 Ni 0.72822 0.93428 0.60927 1.00000
Ni4 Ni 0.50000 0.00000 0.00000 1.00000
Ni5 Ni 0.27178 0.06572 0.39073 1.00000
Pd1 Pd 0.37158 0.62842 0.62842 1.00000
Pd2 Pd 0.00000 0.28683 0.71317 1.00000
Pd3 Pd 0.62842 0.37158 0.37158 1.00000
Pd4 Pd 1.00000 0.71317 0.28683 1.00000
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