LiDy(H3Au)2
Alexandria ALEXAlex-ID: agm007463497 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_13_spg15
LiH2Au LiAu3 DyH3 H6Au
2024-02-09 06:28:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007463497).
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 agm007463497
data_agm007463497
_cell_length_a 6.36907
_cell_length_b 6.36907
_cell_length_c 5.59392
_cell_angle_alpha 79.98785
_cell_angle_beta 79.98785
_cell_angle_gamma 88.87442
_cell_volume 220.04571
_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 0.58535 0.41465 0.25000 1.00000
Li2 Li 0.41465 0.58535 0.75000 1.00000
Dy1 Dy 0.14877 0.85123 0.25000 1.00000
Dy2 Dy 0.85123 0.14877 0.75000 1.00000
H1 H 0.65474 0.15572 0.12213 1.00000
H2 H 0.84428 0.34526 0.37787 1.00000
H3 H 0.34526 0.84428 0.87787 1.00000
H4 H 0.15572 0.65474 0.62213 1.00000
H5 H 0.89161 0.84165 0.00582 1.00000
H6 H 0.15835 0.10839 0.49418 1.00000
H7 H 0.10839 0.15835 0.99418 1.00000
H8 H 0.84165 0.89161 0.50582 1.00000
H9 H 0.47765 0.67670 0.39456 1.00000
H10 H 0.32330 0.52235 0.10544 1.00000
H11 H 0.52235 0.32330 0.60544 1.00000
H12 H 0.67670 0.47765 0.89456 1.00000
Au1 Au 0.90430 0.61593 0.78032 1.00000
Au2 Au 0.38407 0.09570 0.71968 1.00000
Au3 Au 0.09570 0.38407 0.21968 1.00000
Au4 Au 0.61593 0.90430 0.28032 1.00000
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