Cu41Sn11
传统材料 TRAMP-ID: mp-1213530 · 空间群: F-43m (#216)
基础信息
化学式
Cu41Sn11
MP-ID
mp-1213530
元素数
2
位点数
104
密度
8.8935
g/cm³
体积
1,460.55
ų
晶胞参数 a
12.7353
Å
晶胞参数 b
12.7353
Å
晶胞参数 c
12.7353
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
0.02744
eV/atom
能量/原子
-13.75961
eV/atom
凸包距离
0.0274
eV/atom
未修正能量
-4.0627
eV/atom
体积/原子
14.04
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
0.2719
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000190
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
Cu · 0.788
元素家族
N/A
溶质分数
0.212
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.915
家族
Cu-based Alloy
基质元素
Cu · 0.788
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-1213530
参考引用
The crystal structure and related material properties of Cu41Sn11 were obtained from the Materials Project database (MP-ID: mp-1213530, 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
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原始 CIF 数据
# generated using pymatgen
data_Cu41Sn11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.73533961
_cell_length_b 12.73533961
_cell_length_c 12.73533961
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu41Sn11
_chemical_formula_sum 'Cu82 Sn22'
_cell_volume 1460.55055583
_cell_formula_units_Z 2
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
Cu Cu0 1 0.91723900 0.91723900 0.91723900 1.0
Cu Cu1 1 0.91723900 0.91723900 0.24828200 1.0
Cu Cu2 1 0.91723900 0.24828200 0.91723900 1.0
Cu Cu3 1 0.24828200 0.91723900 0.91723900 1.0
Cu Cu4 1 0.55695500 0.55695500 0.55695500 1.0
Cu Cu5 1 0.55695500 0.55695500 0.32913400 1.0
Cu Cu6 1 0.55695500 0.32913400 0.55695500 1.0
Cu Cu7 1 0.32913400 0.55695500 0.55695500 1.0
Cu Cu8 1 0.16623700 0.16623700 0.16623700 1.0
Cu Cu9 1 0.16623700 0.16623700 0.50128800 1.0
Cu Cu10 1 0.16623700 0.50128800 0.16623700 1.0
Cu Cu11 1 0.50128800 0.16623700 0.16623700 1.0
Cu Cu12 1 0.66545000 0.66545000 0.66545000 1.0
Cu Cu13 1 0.66545000 0.66545000 0.00365100 1.0
Cu Cu14 1 0.66545000 0.00365100 0.66545000 1.0
Cu Cu15 1 0.00365100 0.66545000 0.66545000 1.0
Cu Cu16 1 0.02878700 0.02878700 0.26246300 1.0
Cu Cu17 1 0.02878700 0.02878700 0.67996200 1.0
Cu Cu18 1 0.26246300 0.67996200 0.02878700 1.0
Cu Cu19 1 0.26246300 0.02878700 0.02878700 1.0
Cu Cu20 1 0.67996200 0.26246300 0.02878700 1.0
Cu Cu21 1 0.67996200 0.02878700 0.02878700 1.0
Cu Cu22 1 0.02878700 0.26246300 0.67996200 1.0
Cu Cu23 1 0.02878700 0.67996200 0.26246300 1.0
Cu Cu24 1 0.02878700 0.26246300 0.02878700 1.0
Cu Cu25 1 0.67996200 0.02878700 0.26246300 1.0
Cu Cu26 1 0.26246300 0.02878700 0.67996200 1.0
Cu Cu27 1 0.02878700 0.67996200 0.02878700 1.0
Cu Cu28 1 0.51891500 0.51891500 0.79357300 1.0
Cu Cu29 1 0.51891500 0.51891500 0.16859700 1.0
Cu Cu30 1 0.79357300 0.16859700 0.51891500 1.0
Cu Cu31 1 0.79357300 0.51891500 0.51891500 1.0
Cu Cu32 1 0.16859700 0.79357300 0.51891500 1.0
Cu Cu33 1 0.16859700 0.51891500 0.51891500 1.0
Cu Cu34 1 0.51891500 0.79357300 0.16859700 1.0
Cu Cu35 1 0.51891500 0.16859700 0.79357300 1.0
Cu Cu36 1 0.51891500 0.79357300 0.51891500 1.0
Cu Cu37 1 0.16859700 0.51891500 0.79357300 1.0
Cu Cu38 1 0.79357300 0.51891500 0.16859700 1.0
Cu Cu39 1 0.51891500 0.16859700 0.51891500 1.0
Cu Cu40 1 0.26232600 0.26232600 0.91980900 1.0
Cu Cu41 1 0.26232600 0.26232600 0.55553900 1.0
Cu Cu42 1 0.91980900 0.55553900 0.26232600 1.0
Cu Cu43 1 0.91980900 0.26232600 0.26232600 1.0
Cu Cu44 1 0.55553900 0.91980900 0.26232600 1.0
Cu Cu45 1 0.55553900 0.26232600 0.26232600 1.0
Cu Cu46 1 0.26232600 0.91980900 0.55553900 1.0
Cu Cu47 1 0.26232600 0.55553900 0.91980900 1.0
Cu Cu48 1 0.26232600 0.91980900 0.26232600 1.0
Cu Cu49 1 0.55553900 0.26232600 0.91980900 1.0
Cu Cu50 1 0.91980900 0.26232600 0.55553900 1.0
Cu Cu51 1 0.26232600 0.55553900 0.26232600 1.0
Cu Cu52 1 0.82572900 0.17427100 0.17427100 1.0
Cu Cu53 1 0.17427100 0.82572900 0.82572900 1.0
Cu Cu54 1 0.17427100 0.82572900 0.17427100 1.0
Cu Cu55 1 0.82572900 0.17427100 0.82572900 1.0
Cu Cu56 1 0.17427100 0.17427100 0.82572900 1.0
Cu Cu57 1 0.82572900 0.82572900 0.17427100 1.0
Cu Cu58 1 0.04964300 0.04964300 0.04964300 1.0
Cu Cu59 1 0.04964300 0.04964300 0.85107200 1.0
Cu Cu60 1 0.04964300 0.85107200 0.04964300 1.0
Cu Cu61 1 0.85107200 0.04964300 0.04964300 1.0
Cu Cu62 1 0.67751200 0.32248800 0.32248800 1.0
Cu Cu63 1 0.32248800 0.67751200 0.67751200 1.0
Cu Cu64 1 0.32248800 0.67751200 0.32248800 1.0
Cu Cu65 1 0.67751200 0.32248800 0.67751200 1.0
Cu Cu66 1 0.32248800 0.32248800 0.67751200 1.0
Cu Cu67 1 0.67751200 0.67751200 0.32248800 1.0
Cu Cu68 1 0.30544700 0.30544700 0.30544700 1.0
Cu Cu69 1 0.30544700 0.30544700 0.08366000 1.0
Cu Cu70 1 0.30544700 0.08366000 0.30544700 1.0
Cu Cu71 1 0.08366000 0.30544700 0.30544700 1.0
Cu Cu72 1 0.92363900 0.57636100 0.57636100 1.0
Cu Cu73 1 0.57636100 0.92363900 0.92363900 1.0
Cu Cu74 1 0.57636100 0.92363900 0.57636100 1.0
Cu Cu75 1 0.92363900 0.57636100 0.92363900 1.0
Cu Cu76 1 0.57636100 0.57636100 0.92363900 1.0
Cu Cu77 1 0.92363900 0.92363900 0.57636100 1.0
Cu Cu78 1 0.80054200 0.80054200 0.80054200 1.0
Cu Cu79 1 0.80054200 0.80054200 0.59837500 1.0
Cu Cu80 1 0.80054200 0.59837500 0.80054200 1.0
Cu Cu81 1 0.59837500 0.80054200 0.80054200 1.0
Sn Sn82 1 0.41199000 0.41199000 0.41199000 1.0
Sn Sn83 1 0.41199000 0.41199000 0.76403100 1.0
Sn Sn84 1 0.41199000 0.76403100 0.41199000 1.0
Sn Sn85 1 0.76403100 0.41199000 0.41199000 1.0
Sn Sn86 1 0.76767700 0.76767700 0.41502600 1.0
Sn Sn87 1 0.76767700 0.76767700 0.04962000 1.0
Sn Sn88 1 0.41502600 0.04962000 0.76767700 1.0
Sn Sn89 1 0.41502600 0.76767700 0.76767700 1.0
Sn Sn90 1 0.04962000 0.41502600 0.76767700 1.0
Sn Sn91 1 0.04962000 0.76767700 0.76767700 1.0
Sn Sn92 1 0.76767700 0.41502600 0.04962000 1.0
Sn Sn93 1 0.76767700 0.04962000 0.41502600 1.0
Sn Sn94 1 0.76767700 0.41502600 0.76767700 1.0
Sn Sn95 1 0.04962000 0.76767700 0.41502600 1.0
Sn Sn96 1 0.41502600 0.76767700 0.04962000 1.0
Sn Sn97 1 0.76767700 0.04962000 0.76767700 1.0
Sn Sn98 1 0.43154000 0.06846000 0.06846000 1.0
Sn Sn99 1 0.06846000 0.43154000 0.43154000 1.0
Sn Sn100 1 0.06846000 0.43154000 0.06846000 1.0
Sn Sn101 1 0.43154000 0.06846000 0.43154000 1.0
Sn Sn102 1 0.06846000 0.06846000 0.43154000 1.0
Sn Sn103 1 0.43154000 0.43154000 0.06846000 1.0