Y(LuH)3
Alexandria ALEXAlex-ID: agm073028486 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_7_spg176
YLu3H8 Y3LuH8 Lu
2024-10-28 23:17:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073028486).
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 agm073028486
data_agm073028486
_cell_length_a 7.10779
_cell_length_b 7.10779
_cell_length_c 5.43883
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 237.96079
_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
Y1 Y 0.33333 0.66667 0.75000 1.00000
Y2 Y 0.66667 0.33333 0.25000 1.00000
Lu1 Lu 0.16637 0.33274 0.25000 1.00000
Lu2 Lu 0.83363 0.66726 0.75000 1.00000
Lu3 Lu 0.83363 0.16637 0.75000 1.00000
Lu4 Lu 0.16637 0.83363 0.25000 1.00000
Lu5 Lu 0.66726 0.83363 0.25000 1.00000
Lu6 Lu 0.33274 0.16637 0.75000 1.00000
H1 H 0.00000 0.50000 0.00000 1.00000
H2 H 0.50000 0.00000 0.50000 1.00000
H3 H 0.50000 0.50000 0.00000 1.00000
H4 H 0.00000 0.50000 0.50000 1.00000
H5 H 0.50000 0.00000 0.00000 1.00000
H6 H 0.50000 0.50000 0.50000 1.00000
获取直接链接