LiHoB14
Alexandria ALEXAlex-ID: agm005754113 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
LiHoB14
2023-07-18 21:46:09.287200
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754113).
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 agm005754113
data_agm005754113
_cell_length_a 5.87372
_cell_length_b 7.25250
_cell_length_c 7.25250
_cell_angle_alpha 69.10618
_cell_angle_beta 66.11236
_cell_angle_gamma 66.11236
_cell_volume 251.33721
_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 0.50000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.25000 0.37853 0.12147 1.00000
Ho2 Ho 0.75000 0.62147 0.87853 1.00000
B1 B 0.66598 0.36096 0.30708 1.00000
B2 B 0.33402 0.63904 0.69292 1.00000
B3 B 0.16598 0.80708 0.86096 1.00000
B4 B 0.83402 0.19292 0.13904 1.00000
B5 B 0.14933 0.22253 0.47881 1.00000
B6 B 0.85067 0.77747 0.52119 1.00000
B7 B 0.64933 0.97881 0.72253 1.00000
B8 B 0.35067 0.02119 0.27747 1.00000
B9 B 0.08874 0.08475 0.73777 1.00000
B10 B 0.91126 0.91525 0.26223 1.00000
B11 B 0.58874 0.23777 0.58475 1.00000
B12 B 0.41126 0.76223 0.41525 1.00000
B13 B 0.71765 0.60081 0.28040 1.00000
B14 B 0.59886 0.39919 0.71960 1.00000
B15 B 0.21765 0.78040 0.10081 1.00000
B16 B 0.09886 0.21960 0.89919 1.00000
B17 B 0.28235 0.39919 0.71960 1.00000
B18 B 0.40114 0.60081 0.28040 1.00000
B19 B 0.78235 0.21960 0.89919 1.00000
B20 B 0.90114 0.78040 0.10081 1.00000
B21 B 0.33004 0.96653 0.87342 1.00000
B22 B 0.16999 0.03348 0.12658 1.00000
B23 B 0.83004 0.37342 0.46652 1.00000
B24 B 0.66999 0.62658 0.53348 1.00000
B25 B 0.66996 0.03348 0.12658 1.00000
B26 B 0.83001 0.96652 0.87342 1.00000
B27 B 0.16996 0.62658 0.53348 1.00000
B28 B 0.33001 0.37342 0.46652 1.00000
