Zn7GePd4
Alexandria ALEXAlex-ID: agm003664545 · 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
AB4C7_87_spg12
Zn2Pd Ge ZnPd
2022-04-20 20:09:20.151593
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664545).
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 agm003664545
data_agm003664545
_cell_length_a 4.52582
_cell_length_b 7.48803
_cell_length_c 6.52928
_cell_angle_alpha 86.96730
_cell_angle_beta 69.72179
_cell_angle_gamma 72.40997
_cell_volume 197.52211
_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
Zn1 Zn 0.79012 0.80035 0.61940 1.00000
Zn2 Zn 0.20988 0.19965 0.38060 1.00000
Zn3 Zn 0.04951 0.68000 0.22098 1.00000
Zn4 Zn 0.95049 0.32000 0.77902 1.00000
Zn5 Zn 0.35600 0.58324 0.70476 1.00000
Zn6 Zn 0.50000 0.00000 0.00000 1.00000
Zn7 Zn 0.64400 0.41676 0.29524 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.62047 0.16688 0.59219 1.00000
Pd2 Pd 0.37953 0.83312 0.40781 1.00000
Pd3 Pd 0.68882 0.63998 0.98237 1.00000
Pd4 Pd 0.31118 0.36002 0.01763 1.00000
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