Li4ZnPd
Alexandria ALEXAlex-ID: agm077972802 · 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
ABC4_4192_spg1
Li2ZnPd Li
2025-03-12 00:48:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077972802).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm077972802
data_agm077972802
_cell_length_a 4.75890
_cell_length_b 4.75890
_cell_length_c 4.92627
_cell_angle_alpha 77.62588
_cell_angle_beta 102.37412
_cell_angle_gamma 61.72867
_cell_volume 89.27428
_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
Li1 Li 0.83473 0.83473 0.00000 1.00000
Li2 Li 0.16527 0.16527 0.00000 1.00000
Li3 Li 0.65920 0.65920 0.50000 1.00000
Li4 Li 0.34080 0.34080 0.50000 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
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