Li22Sn5
传统材料 TRAMP-ID: mp-1198729 · 空间群: F-43m (#216)
基础信息
化学式
Li22Sn5
MP-ID
mp-1198729
元素数
2
位点数
108
密度
2.5833
g/cm³
体积
1,918.74
ų
晶胞参数 a
13.9479
Å
晶胞参数 b
13.9479
Å
晶胞参数 c
13.9479
Å
α 角
60.00
°
β 角
60.00
°
γ 角
60.00
°
空间群
F-43m
点群
-43m
晶体系统
Cubic
Bravais 格子
cF
稳定性
No
堆积分数
0.7405
能量属性
形成能/原子
-0.33100
eV/atom
能量/原子
-2.62893
eV/atom
凸包距离
0.0101
eV/atom
未修正能量
-2.6289
eV/atom
体积/原子
17.77
ų
c/a 比
1.0000
电子属性
金属性
金属
带隙
0
eV
直接带隙
No
CBM
N/A
eV
磁性属性
磁性
No
总磁矩
0.5100
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000270
μB/ų
弹性属性
弹性数据暂不开放
特征分析
元素组成（原子分数）
组成信息
主元 / 基质元素
Li · 0.815
元素家族
N/A
溶质分数
0.185
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.712
家族
Binary Alloy
基质元素
Li · 0.815
关联任务
关联的计算任务 ID（1 个）
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1198729
参考引用
The crystal structure and related material properties of Li22Sn5 were obtained from the Materials Project database (MP-ID: mp-1198729, database version v2026.04.13).
文献引用
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
晶体结构 3D 渲染
加载 3D 结构...
样式: Ball & Stick
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Li22Sn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.94793872
_cell_length_b 13.94793872
_cell_length_c 13.94793872
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li22Sn5
_chemical_formula_sum 'Li88 Sn20'
_cell_volume 1918.73542457
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.92474406 0.92474406 0.92474406 1.0
Li Li1 1 0.22576782 0.92474406 0.92474406 1.0
Li Li2 1 0.92474406 0.22576782 0.92474406 1.0
Li Li3 1 0.92474406 0.92474406 0.22576782 1.0
Li Li4 1 0.16810068 0.16810068 0.16810068 1.0
Li Li5 1 0.49569796 0.16810068 0.16810068 1.0
Li Li6 1 0.16810068 0.49569796 0.16810068 1.0
Li Li7 1 0.16810068 0.16810068 0.49569796 1.0
Li Li8 1 0.58214080 0.58214080 0.58214080 1.0
Li Li9 1 0.25357759 0.58214080 0.58214080 1.0
Li Li10 1 0.58214080 0.25357759 0.58214080 1.0
Li Li11 1 0.58214080 0.58214080 0.25357759 1.0
Li Li12 1 0.67655044 0.67655044 0.67655044 1.0
Li Li13 1 0.97034868 0.67655044 0.67655044 1.0
Li Li14 1 0.67655044 0.97034868 0.67655044 1.0
Li Li15 1 0.67655044 0.67655044 0.97034868 1.0
Li Li16 1 0.83110258 0.83110258 0.16889742 1.0
Li Li17 1 0.16889742 0.16889742 0.83110258 1.0
Li Li18 1 0.83110258 0.16889742 0.83110258 1.0
Li Li19 1 0.16889742 0.83110258 0.16889742 1.0
Li Li20 1 0.16889742 0.83110258 0.83110258 1.0
Li Li21 1 0.83110258 0.16889742 0.16889742 1.0
Li Li22 1 -0.00000000 0.00000000 0.00000000 1.0
Li Li23 1 0.67383969 0.99732002 0.99732002 1.0
Li Li24 1 0.33152027 0.99732002 0.99732002 1.0
Li Li25 1 0.99732002 0.33152027 0.67383969 1.0
Li Li26 1 0.99732002 0.99732002 0.67383969 1.0
Li Li27 1 0.99732002 0.67383969 0.33152027 1.0
Li Li28 1 0.99732002 0.99732002 0.33152027 1.0
Li Li29 1 0.33152027 0.67383969 0.99732002 1.0
Li Li30 1 0.67383969 0.33152027 0.99732002 1.0
Li Li31 1 0.99732002 0.67383969 0.99732002 1.0
Li Li32 1 0.67383969 0.99732002 0.33152027 1.0
Li Li33 1 0.33152027 0.99732002 0.67383969 1.0
Li Li34 1 0.99732002 0.33152027 0.99732002 1.0
Li Li35 1 0.92164494 0.92164494 0.57835506 1.0
Li Li36 1 0.57835506 0.57835506 0.92164494 1.0
Li Li37 1 0.92164494 0.57835506 0.92164494 1.0
Li Li38 1 0.57835506 0.92164494 0.57835506 1.0
Li Li39 1 0.57835506 0.92164494 0.92164494 1.0
Li Li40 1 0.92164494 0.57835506 0.57835506 1.0
Li Li41 1 0.25000000 0.25000000 0.25000000 1.0
Li Li42 1 0.57715381 0.24284899 0.24284899 1.0
Li Li43 1 0.93714822 0.24284899 0.24284899 1.0
Li Li44 1 0.24284899 0.93714822 0.57715381 1.0
Li Li45 1 0.24284899 0.24284899 0.57715381 1.0
Li Li46 1 0.24284899 0.57715381 0.93714822 1.0
Li Li47 1 0.24284899 0.24284899 0.93714822 1.0
Li Li48 1 0.93714822 0.57715381 0.24284899 1.0
Li Li49 1 0.57715381 0.93714822 0.24284899 1.0
Li Li50 1 0.24284899 0.57715381 0.24284899 1.0
Li Li51 1 0.57715381 0.24284899 0.93714822 1.0
Li Li52 1 0.93714822 0.24284899 0.57715381 1.0
Li Li53 1 0.24284899 0.93714822 0.24284899 1.0
Li Li54 1 0.32722661 0.32722661 0.32722661 1.0
Li Li55 1 0.01832016 0.32722661 0.32722661 1.0
Li Li56 1 0.32722661 0.01832016 0.32722661 1.0
Li Li57 1 0.32722661 0.32722661 0.01832016 1.0
Li Li58 1 0.08123439 0.74487789 0.74487789 1.0
Li Li59 1 0.42900984 0.74487789 0.74487789 1.0
Li Li60 1 0.74487789 0.42900984 0.08123439 1.0
Li Li61 1 0.74487789 0.74487789 0.08123439 1.0
Li Li62 1 0.74487789 0.08123439 0.42900984 1.0
Li Li63 1 0.74487789 0.74487789 0.42900984 1.0
Li Li64 1 0.42900984 0.08123439 0.74487789 1.0
Li Li65 1 0.08123439 0.42900984 0.74487789 1.0
Li Li66 1 0.74487789 0.08123439 0.74487789 1.0
Li Li67 1 0.08123439 0.74487789 0.42900984 1.0
Li Li68 1 0.42900984 0.74487789 0.08123439 1.0
Li Li69 1 0.74487789 0.42900984 0.74487789 1.0
Li Li70 1 0.18729672 0.49542536 0.49542536 1.0
Li Li71 1 0.82185255 0.49542536 0.49542536 1.0
Li Li72 1 0.49542536 0.82185255 0.18729672 1.0
Li Li73 1 0.49542536 0.49542536 0.18729672 1.0
Li Li74 1 0.49542536 0.18729672 0.82185255 1.0
Li Li75 1 0.49542536 0.49542536 0.82185255 1.0
Li Li76 1 0.82185255 0.18729672 0.49542536 1.0
Li Li77 1 0.18729672 0.82185255 0.49542536 1.0
Li Li78 1 0.49542536 0.18729672 0.49542536 1.0
Li Li79 1 0.18729672 0.49542536 0.82185255 1.0
Li Li80 1 0.82185255 0.49542536 0.18729672 1.0
Li Li81 1 0.49542536 0.82185255 0.49542536 1.0
Li Li82 1 0.50000000 0.50000000 0.50000000 1.0
Li Li83 1 0.75000000 0.75000000 0.75000000 1.0
Li Li84 1 0.42314368 0.42314368 0.42314368 1.0
Li Li85 1 0.73056897 0.42314368 0.42314368 1.0
Li Li86 1 0.42314368 0.73056897 0.42314368 1.0
Li Li87 1 0.42314368 0.42314368 0.73056897 1.0
Sn Sn88 1 0.83832004 0.83832004 0.83832004 1.0
Sn Sn89 1 0.48503989 0.83832004 0.83832004 1.0
Sn Sn90 1 0.83832004 0.48503989 0.83832004 1.0
Sn Sn91 1 0.83832004 0.83832004 0.48503989 1.0
Sn Sn92 1 0.42545391 0.42545391 0.07454609 1.0
Sn Sn93 1 0.07454609 0.07454609 0.42545391 1.0
Sn Sn94 1 0.42545391 0.07454609 0.42545391 1.0
Sn Sn95 1 0.07454609 0.42545391 0.07454609 1.0
Sn Sn96 1 0.07454609 0.42545391 0.42545391 1.0
Sn Sn97 1 0.42545391 0.07454609 0.07454609 1.0
Sn Sn98 1 0.67622421 0.67622421 0.32377579 1.0
Sn Sn99 1 0.32377579 0.32377579 0.67622421 1.0
Sn Sn100 1 0.67622421 0.32377579 0.67622421 1.0
Sn Sn101 1 0.32377579 0.67622421 0.32377579 1.0
Sn Sn102 1 0.32377579 0.67622421 0.67622421 1.0
Sn Sn103 1 0.67622421 0.32377579 0.32377579 1.0
Sn Sn104 1 0.08342790 0.08342790 0.08342790 1.0
Sn Sn105 1 0.74971629 0.08342790 0.08342790 1.0
Sn Sn106 1 0.08342790 0.74971629 0.08342790 1.0
Sn Sn107 1 0.08342790 0.08342790 0.74971629 1.0