Al(ZnPb2)2
Alexandria ALEXAlex-ID: agm096498136 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_4117_spg12
Al3Zn4 Zn Pb
2025-04-10 14:07:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096498136).
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 agm096498136
data_agm096498136
_cell_length_a 5.25938
_cell_length_b 4.62467
_cell_length_c 7.77963
_cell_angle_alpha 90.01793
_cell_angle_beta 91.88466
_cell_angle_gamma 90.00185
_cell_volume 189.12053
_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
Al1 Al 0.49995 0.00128 0.00010 1.00000
Zn1 Zn 0.99987 0.00129 0.99995 1.00000
Zn2 Zn 0.00041 0.49806 0.49999 1.00000
Pb1 Pb 0.75189 0.50107 0.81715 1.00000
Pb2 Pb 0.72969 0.99838 0.35671 1.00000
Pb3 Pb 0.27033 0.99856 0.64351 1.00000
Pb4 Pb 0.24786 0.50135 0.18259 1.00000
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