Li6LaPd4
Alexandria ALEXAlex-ID: agm003662269 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_181_spg121
LaPd Li2Pd
2022-04-08 11:45:27.954269
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662269).
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 agm003662269
data_agm003662269
_cell_length_a 6.77079
_cell_length_b 6.77079
_cell_length_c 6.77079
_cell_angle_alpha 85.91096
_cell_angle_beta 122.38823
_cell_angle_gamma 122.38823
_cell_volume 210.97521
_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 0.00000 0.88670 0.51045 1.00000
Li2 Li 0.00000 0.51045 0.88670 1.00000
Li3 Li 0.62375 0.11330 0.11330 1.00000
Li4 Li 0.50000 0.00000 0.50000 1.00000
Li5 Li 0.37625 0.48955 0.48955 1.00000
Li6 Li 0.50000 0.50000 0.00000 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.00000 0.24639 0.61130 1.00000
Pd2 Pd 0.63509 0.38870 0.38870 1.00000
Pd3 Pd 0.00000 0.61130 0.24639 1.00000
Pd4 Pd 0.36491 0.75361 0.75361 1.00000
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