LiV(H3Pd)2
Alexandria ALEXAlex-ID: agm008090171 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_17_spg2
LiH2Pd VH2 H4Pd HPd
2025-05-27 03:01:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008090171).
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 agm008090171
data_agm008090171
_cell_length_a 4.87782
_cell_length_b 4.92261
_cell_length_c 4.90673
_cell_angle_alpha 59.53216
_cell_angle_beta 59.22757
_cell_angle_gamma 60.07299
_cell_volume 82.56423
_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 0.45350 0.54629 0.64655 1.00000
V1 V 0.96504 0.06636 0.13491 1.00000
H1 H 0.37517 0.09896 0.10101 1.00000
H2 H 0.96402 0.67866 0.13583 1.00000
H3 H 0.89634 0.10660 0.54916 1.00000
H4 H 0.39145 0.97161 0.70852 1.00000
H5 H 0.00008 0.47492 0.72501 1.00000
H6 H 0.55070 0.45223 0.20297 1.00000
Pd1 Pd 0.20074 0.30318 0.39718 1.00000
Pd2 Pd 0.70296 0.80118 0.89886 1.00000
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