LiYB14
Alexandria ALEXAlex-ID: agm005753812 · 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
LiYB14
2023-07-18 21:47:06.744659
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753812).
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 agm005753812
data_agm005753812
_cell_length_a 5.88051
_cell_length_b 7.26608
_cell_length_c 7.26608
_cell_angle_alpha 69.06938
_cell_angle_beta 66.13051
_cell_angle_gamma 66.13051
_cell_volume 252.58386
_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
Y1 Y 0.25000 0.37886 0.12114 1.00000
Y2 Y 0.75000 0.62114 0.87886 1.00000
B1 B 0.66586 0.36109 0.30718 1.00000
B2 B 0.33414 0.63891 0.69282 1.00000
B3 B 0.16586 0.80718 0.86109 1.00000
B4 B 0.83414 0.19282 0.13891 1.00000
B5 B 0.14885 0.22272 0.47958 1.00000
B6 B 0.85115 0.77728 0.52042 1.00000
B7 B 0.64885 0.97958 0.72272 1.00000
B8 B 0.35115 0.02042 0.27728 1.00000
B9 B 0.08875 0.08452 0.73799 1.00000
B10 B 0.91125 0.91548 0.26201 1.00000
B11 B 0.58875 0.23799 0.58452 1.00000
B12 B 0.41125 0.76201 0.41548 1.00000
B13 B 0.71714 0.60112 0.28093 1.00000
B14 B 0.59919 0.39888 0.71907 1.00000
B15 B 0.21714 0.78093 0.10112 1.00000
B16 B 0.09919 0.21907 0.89888 1.00000
B17 B 0.28286 0.39888 0.71907 1.00000
B18 B 0.40081 0.60112 0.28093 1.00000
B19 B 0.78286 0.21907 0.89888 1.00000
B20 B 0.90081 0.78093 0.10112 1.00000
B21 B 0.32967 0.96675 0.87349 1.00000
B22 B 0.16991 0.03325 0.12651 1.00000
B23 B 0.82967 0.37349 0.46675 1.00000
B24 B 0.66991 0.62651 0.53325 1.00000
B25 B 0.67033 0.03325 0.12651 1.00000
B26 B 0.83009 0.96675 0.87349 1.00000
B27 B 0.17033 0.62651 0.53325 1.00000
B28 B 0.33009 0.37349 0.46675 1.00000
