Mg5Zn5Pd2
Alexandria ALEXAlex-ID: agm005653473 · 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
A2B5C5_123_spg71
Mg4ZnPd Mg2Zn3Pd
2023-06-19 03:27:40.256357
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653473).
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 agm005653473
data_agm005653473
_cell_length_a 4.40098
_cell_length_b 7.44527
_cell_length_c 7.31198
_cell_angle_alpha 74.13984
_cell_angle_beta 72.48577
_cell_angle_gamma 72.80917
_cell_volume 213.75854
_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
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.36223 0.34374 0.93179 1.00000
Mg3 Mg 0.33490 0.00699 0.32321 1.00000
Mg4 Mg 0.66510 0.99301 0.67679 1.00000
Mg5 Mg 0.63777 0.65626 0.06821 1.00000
Zn1 Zn 0.95748 0.76153 0.32351 1.00000
Zn2 Zn 0.23545 0.75047 0.77862 1.00000
Zn3 Zn 0.76455 0.24953 0.22138 1.00000
Zn4 Zn 0.04252 0.23847 0.67649 1.00000
Zn5 Zn 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.85422 0.59767 0.69389 1.00000
Pd2 Pd 0.14578 0.40233 0.30611 1.00000
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