Li2H7Pd
Alexandria ALEXAlex-ID: agm007299298 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_2147_spg2
LiH9 LiH LiH2Pd
2025-06-13 14:51:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007299298).
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 agm007299298
data_agm007299298
_cell_length_a 4.98577
_cell_length_b 4.88567
_cell_length_c 8.29831
_cell_angle_alpha 83.36214
_cell_angle_beta 79.64751
_cell_angle_gamma 58.38378
_cell_volume 169.27828
_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 0.35288 0.84078 0.40515 1.00000
Li2 Li 0.92560 0.46216 0.77853 1.00000
Li3 Li 0.07440 0.53784 0.22147 1.00000
Li4 Li 0.64712 0.15922 0.59485 1.00000
H1 H 0.48961 0.56403 0.17177 1.00000
H2 H 0.06206 0.10702 0.63377 1.00000
H3 H 0.83290 0.88537 0.00188 1.00000
H4 H 0.39784 0.21773 0.35708 1.00000
H5 H 0.03722 0.19742 0.11653 1.00000
H6 H 0.79873 0.42127 0.37940 1.00000
H7 H 0.72732 0.98773 0.10532 1.00000
H8 H 0.27268 0.01227 0.89468 1.00000
H9 H 0.20127 0.57873 0.62060 1.00000
H10 H 0.96278 0.80258 0.88347 1.00000
H11 H 0.60216 0.78227 0.64292 1.00000
H12 H 0.16710 0.11463 0.99812 1.00000
H13 H 0.93794 0.89298 0.36623 1.00000
H14 H 0.51039 0.43597 0.82823 1.00000
Pd1 Pd 0.72123 0.22319 0.25988 1.00000
Pd2 Pd 0.27877 0.77681 0.74012 1.00000
获取直接链接