LiSiB14
Alexandria ALEXAlex-ID: agm005753440 · 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
LiSiB6 B
2023-07-18 21:48:33.478900
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753440).
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 agm005753440
data_agm005753440
_cell_length_a 5.93758
_cell_length_b 7.17217
_cell_length_c 7.17217
_cell_angle_alpha 68.80825
_cell_angle_beta 65.54794
_cell_angle_gamma 65.54793
_cell_volume 246.34327
_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
Si1 Si 0.25000 0.33232 0.16768 1.00000
Si2 Si 0.75000 0.66768 0.83232 1.00000
B1 B 0.66630 0.35468 0.31273 1.00000
B2 B 0.33370 0.64532 0.68727 1.00000
B3 B 0.16630 0.81273 0.85468 1.00000
B4 B 0.83370 0.18727 0.14532 1.00000
B5 B 0.14454 0.23478 0.47614 1.00000
B6 B 0.85546 0.76522 0.52386 1.00000
B7 B 0.64454 0.97614 0.73478 1.00000
B8 B 0.35546 0.02386 0.26522 1.00000
B9 B 0.08473 0.09228 0.73827 1.00000
B10 B 0.91527 0.90772 0.26173 1.00000
B11 B 0.58473 0.23827 0.59228 1.00000
B12 B 0.41527 0.76173 0.40772 1.00000
B13 B 0.72149 0.59750 0.26936 1.00000
B14 B 0.58835 0.40250 0.73064 1.00000
B15 B 0.22149 0.76936 0.09750 1.00000
B16 B 0.08835 0.23064 0.90250 1.00000
B17 B 0.27851 0.40250 0.73064 1.00000
B18 B 0.41165 0.59750 0.26936 1.00000
B19 B 0.77851 0.23064 0.90250 1.00000
B20 B 0.91165 0.76936 0.09750 1.00000
B21 B 0.32397 0.96717 0.87530 1.00000
B22 B 0.16644 0.03283 0.12470 1.00000
B23 B 0.82397 0.37530 0.46717 1.00000
B24 B 0.66644 0.62470 0.53283 1.00000
B25 B 0.67603 0.03283 0.12470 1.00000
B26 B 0.83356 0.96717 0.87530 1.00000
B27 B 0.17603 0.62470 0.53283 1.00000
B28 B 0.33356 0.37530 0.46717 1.00000
