LiSb
Alexandria ALEXAlex-ID: agm004464686 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2183_spg70
Li2Sb Sb
2022-05-30 09:00:02.015839
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004464686).
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 agm004464686
data_agm004464686
_cell_length_a 8.14006
_cell_length_b 8.69919
_cell_length_c 10.44906
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 739.91783
_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 0.18238 0.00000 0.00000 1.00000
Li2 Li 0.81762 0.00000 0.00000 1.00000
Li3 Li 0.06762 0.75000 0.25000 1.00000
Li4 Li 0.43238 0.75000 0.25000 1.00000
Li5 Li 0.18238 0.50000 0.50000 1.00000
Li6 Li 0.81762 0.50000 0.50000 1.00000
Li7 Li 0.06762 0.25000 0.75000 1.00000
Li8 Li 0.43238 0.25000 0.75000 1.00000
Li9 Li 0.68238 0.00000 0.50000 1.00000
Li10 Li 0.31762 0.00000 0.50000 1.00000
Li11 Li 0.56762 0.75000 0.75000 1.00000
Li12 Li 0.93238 0.75000 0.75000 1.00000
Li13 Li 0.68238 0.50000 0.00000 1.00000
Li14 Li 0.31762 0.50000 0.00000 1.00000
Li15 Li 0.56762 0.25000 0.25000 1.00000
Li16 Li 0.93238 0.25000 0.25000 1.00000
Sb1 Sb 0.00000 0.66840 0.00000 1.00000
Sb2 Sb 0.00000 0.33160 0.00000 1.00000
Sb3 Sb 0.25000 0.08160 0.25000 1.00000
Sb4 Sb 0.25000 0.41840 0.25000 1.00000
Sb5 Sb 0.00000 0.16840 0.50000 1.00000
Sb6 Sb 0.00000 0.83160 0.50000 1.00000
Sb7 Sb 0.25000 0.58160 0.75000 1.00000
Sb8 Sb 0.25000 0.91840 0.75000 1.00000
Sb9 Sb 0.50000 0.66840 0.50000 1.00000
Sb10 Sb 0.50000 0.33160 0.50000 1.00000
Sb11 Sb 0.75000 0.08160 0.75000 1.00000
Sb12 Sb 0.75000 0.41840 0.75000 1.00000
Sb13 Sb 0.50000 0.16840 0.00000 1.00000
Sb14 Sb 0.50000 0.83160 0.00000 1.00000
Sb15 Sb 0.75000 0.58160 0.25000 1.00000
Sb16 Sb 0.75000 0.91840 0.25000 1.00000
