K8Zn4Pb
Alexandria ALEXAlex-ID: agm097948015 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1203_spg1
KZn13 K KPb
2025-06-16 09:18:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097948015).
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 agm097948015
data_agm097948015
_cell_length_a 5.04830
_cell_length_b 13.61779
_cell_length_c 12.04624
_cell_angle_alpha 132.43373
_cell_angle_beta 77.90996
_cell_angle_gamma 89.97100
_cell_volume 586.00308
_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
K1 K 0.80699 0.76686 0.23211 1.00000
K2 K 0.78169 0.31067 0.28279 1.00000
K3 K 0.53023 0.51942 0.78521 1.00000
K4 K 0.62386 0.75824 0.59920 1.00000
K5 K 0.21593 0.14638 0.41505 1.00000
K6 K 0.33779 0.47360 0.16996 1.00000
K7 K 0.94110 0.88059 0.96559 1.00000
K8 K 0.56595 0.14500 0.71424 1.00000
Zn1 Zn 0.99757 0.06040 0.85114 1.00000
Zn2 Zn 0.97725 0.39598 0.88944 1.00000
Zn3 Zn 0.14052 0.53827 0.56376 1.00000
Zn4 Zn 0.15252 0.90542 0.54199 1.00000
Pb1 Pb 0.42861 0.09917 0.98952 1.00000
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