LiAsPd3
Alexandria ALEXAlex-ID: agm005750122 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_7294_spg10
LiAsPd2 Li2AsPd5 AsPd3
2023-07-04 13:55:36.801484
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005750122).
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 agm005750122
data_agm005750122
_cell_length_a 4.02128
_cell_length_b 5.32093
_cell_length_c 7.63332
_cell_angle_alpha 83.80268
_cell_angle_beta 90.19496
_cell_angle_gamma 89.98649
_cell_volume 162.37419
_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 0.12746 0.80493 0.89624 1.00000
Li2 Li 0.12532 0.34953 0.56754 1.00000
As1 As 0.62431 0.67764 0.40506 1.00000
As2 As 0.62859 0.08494 0.05749 1.00000
Pd1 Pd 0.62824 0.59886 0.09536 1.00000
Pd2 Pd 0.12511 0.86004 0.53134 1.00000
Pd3 Pd 0.62440 0.18862 0.36657 1.00000
Pd4 Pd 0.62633 0.57353 0.73230 1.00000
Pd5 Pd 0.12760 0.30468 0.93096 1.00000
Pd6 Pd 0.62641 0.07279 0.73032 1.00000
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