LiZnPd3
Alexandria ALEXAlex-ID: agm005820122 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4831_spg36
LiZnPd2 LiPd3 ZnPd2
2023-07-04 15:09:11.377126
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005820122).
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 agm005820122
data_agm005820122
_cell_length_a 4.45765
_cell_length_b 4.87402
_cell_length_c 7.15976
_cell_angle_alpha 111.48713
_cell_angle_beta 89.99998
_cell_angle_gamma 90.00000
_cell_volume 144.74636
_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 0.51544 0.73459 0.08419 1.00000
Li2 Li 0.01544 0.03291 0.29917 1.00000
Zn1 Zn 0.01544 0.62421 0.50188 1.00000
Zn2 Zn 0.51544 0.14329 0.88148 1.00000
Pd1 Pd 0.51544 0.54582 0.69435 1.00000
Pd2 Pd 0.51544 0.92092 0.47688 1.00000
Pd3 Pd 0.01544 0.22168 0.68901 1.00000
Pd4 Pd 0.01544 0.45347 0.10825 1.00000
Pd5 Pd 0.01544 0.84658 0.90648 1.00000
Pd6 Pd 0.51544 0.31402 0.27511 1.00000
获取直接链接