Li2ZnH6Pd
Alexandria ALEXAlex-ID: agm007448342 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1_spg225
LiH9 LiH ZnPd
2024-08-07 22:03:41.506716
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448342).
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 agm007448342
data_agm007448342
_cell_length_a 4.57780
_cell_length_b 5.21524
_cell_length_c 5.22528
_cell_angle_alpha 85.42821
_cell_angle_beta 111.58326
_cell_angle_gamma 123.54166
_cell_volume 95.45036
_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 0.53287 0.81834 0.31119 1.00000
Li2 Li 0.69555 0.33584 0.97979 1.00000
Zn1 Zn 0.12353 0.49597 0.63752 1.00000
H1 H 0.86791 0.58344 0.71255 1.00000
H2 H 0.34095 0.07247 0.16134 1.00000
H3 H 0.08228 0.43949 0.31727 1.00000
H4 H 0.16532 0.17501 0.70046 1.00000
H5 H 0.52943 0.90548 0.67965 1.00000
H6 H 0.73310 0.72836 0.10278 1.00000
Pd1 Pd 0.93112 0.95161 0.89848 1.00000
获取直接链接