Zn4GePd7
Alexandria ALEXAlex-ID: agm003664546 · 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
Zn2GePd5 ZnPd
2022-04-20 19:29:20.367173
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664546).
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 agm003664546
data_agm003664546
_cell_length_a 4.60169
_cell_length_b 7.75788
_cell_length_c 6.26798
_cell_angle_alpha 78.75621
_cell_angle_beta 68.46442
_cell_angle_gamma 72.74760
_cell_volume 197.84101
_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 0.57502 0.22311 0.62685 1.00000
Zn2 Zn 0.42498 0.77689 0.37315 1.00000
Zn3 Zn 0.72191 0.65964 0.89653 1.00000
Zn4 Zn 0.27809 0.34036 0.10347 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.78705 0.88540 0.54051 1.00000
Pd2 Pd 0.21295 0.11460 0.45949 1.00000
Pd3 Pd 0.07454 0.68394 0.16699 1.00000
Pd4 Pd 0.92546 0.31606 0.83301 1.00000
Pd5 Pd 0.35763 0.55898 0.72576 1.00000
Pd6 Pd 0.50000 0.00000 0.00000 1.00000
Pd7 Pd 0.64237 0.44102 0.27424 1.00000
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