Cu9As4
传统材料 TRAMP-ID: mp-1246371 · 空间群: P-43m (#215)
基础信息
化学式
Cu9As4
MP-ID
mp-1246371
元素数
2
位点数
52
密度
7.9665
g/cm³
体积
726.71
ų
晶胞参数 a
8.9906
Å
晶胞参数 b
8.9906
Å
晶胞参数 c
8.9906
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P-43m
点群
-43m
晶体系统
Cubic
Bravais 格子
cP
稳定性
No
堆积分数
0.5236
能量属性
形成能/原子
0.10818
eV/atom
能量/原子
-11.92653
eV/atom
凸包距离
0.1082
eV/atom
未修正能量
-4.1633
eV/atom
体积/原子
13.98
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
0.0048
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
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 · 0.692
元素家族
N/A
溶质分数
0.308
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.731
家族
Cu-based Alloy
基质元素
Cu · 0.692
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-1246371
参考引用
The crystal structure and related material properties of Cu9As4 were obtained from the Materials Project database (MP-ID: mp-1246371, 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_Cu9As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.99056400
_cell_length_b 8.99056400
_cell_length_c 8.99056400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu9As4
_chemical_formula_sum 'Cu36 As16'
_cell_volume 726.70945519
_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
Cu Cu0 1 0.32901000 0.67099000 0.67099000 1.0
Cu Cu1 1 0.64359900 0.00000000 0.00000000 1.0
Cu Cu2 1 0.00000000 0.00000000 0.35640100 1.0
Cu Cu3 1 0.00000000 0.00000000 0.64359900 1.0
Cu Cu4 1 0.00000000 0.64359900 0.00000000 1.0
Cu Cu5 1 0.00000000 0.35640100 0.00000000 1.0
Cu Cu6 1 0.85349600 0.50000000 0.50000000 1.0
Cu Cu7 1 0.14650400 0.50000000 0.50000000 1.0
Cu Cu8 1 0.50000000 0.50000000 0.85349600 1.0
Cu Cu9 1 0.50000000 0.50000000 0.14650400 1.0
Cu Cu10 1 0.35640100 0.00000000 0.00000000 1.0
Cu Cu11 1 0.50000000 0.85349600 0.50000000 1.0
Cu Cu12 1 0.32020700 0.32020700 0.02778500 1.0
Cu Cu13 1 0.67979300 0.02778500 0.67979300 1.0
Cu Cu14 1 0.67979300 0.97221500 0.32020700 1.0
Cu Cu15 1 0.97221500 0.67979300 0.32020700 1.0
Cu Cu16 1 0.02778500 0.67979300 0.67979300 1.0
Cu Cu17 1 0.32020700 0.67979300 0.97221500 1.0
Cu Cu18 1 0.67979300 0.32020700 0.97221500 1.0
Cu Cu19 1 0.02778500 0.32020700 0.32020700 1.0
Cu Cu20 1 0.32020700 0.02778500 0.32020700 1.0
Cu Cu21 1 0.97221500 0.32020700 0.67979300 1.0
Cu Cu22 1 0.32020700 0.97221500 0.67979300 1.0
Cu Cu23 1 0.67979300 0.67979300 0.02778500 1.0
Cu Cu24 1 0.67099000 0.67099000 0.32901000 1.0
Cu Cu25 1 0.67099000 0.32901000 0.67099000 1.0
Cu Cu26 1 0.32901000 0.32901000 0.32901000 1.0
Cu Cu27 1 0.83036400 0.16963600 0.16963600 1.0
Cu Cu28 1 0.16963600 0.16963600 0.83036400 1.0
Cu Cu29 1 0.16963600 0.83036400 0.16963600 1.0
Cu Cu30 1 0.83036400 0.83036400 0.83036400 1.0
Cu Cu31 1 0.60209200 0.39790800 0.39790800 1.0
Cu Cu32 1 0.39790800 0.39790800 0.60209200 1.0
Cu Cu33 1 0.39790800 0.60209200 0.39790800 1.0
Cu Cu34 1 0.60209200 0.60209200 0.60209200 1.0
Cu Cu35 1 0.50000000 0.14650400 0.50000000 1.0
As As36 1 0.12736100 0.12736100 0.12736100 1.0
As As37 1 0.87263900 0.12736100 0.87263900 1.0
As As38 1 0.87263900 0.87263900 0.12736100 1.0
As As39 1 0.12736100 0.87263900 0.87263900 1.0
As As40 1 0.80616200 0.46727900 0.19383800 1.0
As As41 1 0.46727900 0.80616200 0.19383800 1.0
As As42 1 0.80616200 0.53272100 0.80616200 1.0
As As43 1 0.53272100 0.80616200 0.80616200 1.0
As As44 1 0.19383800 0.80616200 0.46727900 1.0
As As45 1 0.80616200 0.19383800 0.46727900 1.0
As As46 1 0.53272100 0.19383800 0.19383800 1.0
As As47 1 0.46727900 0.19383800 0.80616200 1.0
As As48 1 0.19383800 0.46727900 0.80616200 1.0
As As49 1 0.19383800 0.53272100 0.19383800 1.0
As As50 1 0.80616200 0.80616200 0.53272100 1.0
As As51 1 0.19383800 0.19383800 0.53272100 1.0