LaH6C
Alexandria ALEXAlex-ID: agm079459713 · 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
ABC6_245_spg12
LaH3 H4C C
2025-06-26 15:05:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079459713).
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 agm079459713
data_agm079459713
_cell_length_a 4.22831
_cell_length_b 6.54679
_cell_length_c 4.14044
_cell_angle_alpha 108.71131
_cell_angle_beta 119.52007
_cell_angle_gamma 102.72085
_cell_volume 83.92809
_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
La1 La 0.34466 0.41526 0.31772 1.00000
H1 H 0.67980 0.46086 0.00958 1.00000
H2 H 0.65023 0.59509 0.06318 1.00000
H3 H 0.16196 0.92835 0.78892 1.00000
H4 H 0.93507 0.34514 0.57665 1.00000
H5 H 0.08447 0.93984 0.18649 1.00000
H6 H 0.71080 0.94331 0.71647 1.00000
C1 C 0.93301 0.87215 0.84098 1.00000
获取直接链接