LiDyB14
Alexandria ALEXAlex-ID: agm005754106 · 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
LiDyB14
2023-07-18 21:44:32.283098
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754106).
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 agm005754106
data_agm005754106
_cell_length_a 5.87444
_cell_length_b 7.26171
_cell_length_c 7.26171
_cell_angle_alpha 69.11426
_cell_angle_beta 66.14142
_cell_angle_gamma 66.14143
_cell_volume 252.10788
_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
Dy1 Dy 0.25000 0.37866 0.12134 1.00000
Dy2 Dy 0.75000 0.62134 0.87866 1.00000
B1 B 0.66591 0.36113 0.30706 1.00000
B2 B 0.33409 0.63887 0.69294 1.00000
B3 B 0.16591 0.80706 0.86113 1.00000
B4 B 0.83409 0.19294 0.13887 1.00000
B5 B 0.14907 0.22237 0.47950 1.00000
B6 B 0.85093 0.77763 0.52050 1.00000
B7 B 0.64907 0.97950 0.72237 1.00000
B8 B 0.35093 0.02050 0.27763 1.00000
B9 B 0.08874 0.08447 0.73804 1.00000
B10 B 0.91126 0.91553 0.26196 1.00000
B11 B 0.58874 0.23804 0.58447 1.00000
B12 B 0.41126 0.76196 0.41553 1.00000
B13 B 0.71739 0.60101 0.28080 1.00000
B14 B 0.59919 0.39899 0.71920 1.00000
B15 B 0.21739 0.78080 0.10101 1.00000
B16 B 0.09919 0.21920 0.89899 1.00000
B17 B 0.28261 0.39899 0.71920 1.00000
B18 B 0.40081 0.60101 0.28080 1.00000
B19 B 0.78261 0.21920 0.89899 1.00000
B20 B 0.90081 0.78080 0.10101 1.00000
B21 B 0.32992 0.96666 0.87348 1.00000
B22 B 0.17006 0.03334 0.12652 1.00000
B23 B 0.82992 0.37348 0.46666 1.00000
B24 B 0.67006 0.62652 0.53334 1.00000
B25 B 0.67008 0.03334 0.12652 1.00000
B26 B 0.82994 0.96666 0.87348 1.00000
B27 B 0.17008 0.62652 0.53334 1.00000
B28 B 0.32994 0.37348 0.46666 1.00000
