LiGaH6Pd
Alexandria ALEXAlex-ID: agm007123798 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_590_spg1
LiH9 LiH GaPd
2025-05-27 02:57:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007123798).
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
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# CIF generated by HEAS from Alexandria entry agm007123798
data_agm007123798
_cell_length_a 3.09727
_cell_length_b 4.73596
_cell_length_c 7.07289
_cell_angle_alpha 72.20715
_cell_angle_beta 84.59889
_cell_angle_gamma 70.49685
_cell_volume 93.11484
_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 0.57608 0.73614 0.22425 1.00000
Ga1 Ga 0.33873 0.36396 0.85882 1.00000
H1 H 0.61877 0.93275 0.42333 1.00000
H2 H 0.89768 0.30997 0.37563 1.00000
H3 H 0.92613 0.07916 0.10965 1.00000
H4 H 0.53511 0.82786 0.51395 1.00000
H5 H 0.22968 0.52289 0.08774 1.00000
H6 H 0.81486 0.33436 0.47680 1.00000
Pd1 Pd 0.06292 0.89284 0.92966 1.00000
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