Cd3As2
传统材料 TRAMP-ID: mp-570634 · 空间群: I4_1/acd (#142)
基础信息
化学式
Cd3As2
MP-ID
mp-570634
元素数
2
位点数
80
密度
5.9786
g/cm³
体积
2,164.55
ų
晶胞参数 a
15.8773
Å
晶胞参数 b
15.8773
Å
晶胞参数 c
15.8773
Å
α 角
132.03
°
β 角
132.03
°
γ 角
70.18
°
空间群
I4_1/acd
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tI
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.06584
eV/atom
能量/原子
-2.50990
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.5099
eV/atom
体积/原子
27.06
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
0.0000
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000000
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
Cd · 0.600
元素家族
N/A
溶质分数
0.400
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.587
家族
Binary Alloy
基质元素
Cd · 0.600
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-570634
参考引用
The crystal structure and related material properties of Cd3As2 were obtained from the Materials Project database (MP-ID: mp-570634, 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_Cd3As2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.87732687
_cell_length_b 15.87732687
_cell_length_c 15.87732687
_cell_angle_alpha 132.03175444
_cell_angle_beta 132.03175444
_cell_angle_gamma 70.17887882
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd3As2
_chemical_formula_sum 'Cd48 As32'
_cell_volume 2164.54675056
_cell_formula_units_Z 16
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
Cd Cd0 1 0.46212700 0.44179900 0.25890500 1.0
Cd Cd1 1 0.96212700 0.70322200 0.02032800 1.0
Cd Cd2 1 0.69179900 0.21212700 0.75890500 1.0
Cd Cd3 1 0.19179900 0.43289400 0.47967200 1.0
Cd Cd4 1 0.28787300 0.80820100 0.24109500 1.0
Cd Cd5 1 0.78787300 0.54677800 0.47967200 1.0
Cd Cd6 1 0.05820100 0.03787300 0.74109500 1.0
Cd Cd7 1 0.55820100 0.81710600 0.02032800 1.0
Cd Cd8 1 0.68289400 0.94179900 0.97967200 1.0
Cd Cd9 1 0.18289400 0.20322200 0.74109500 1.0
Cd Cd10 1 0.95322200 0.71212700 0.52032800 1.0
Cd Cd11 1 0.45322200 0.93289400 0.24109500 1.0
Cd Cd12 1 0.06710600 0.30820100 0.52032800 1.0
Cd Cd13 1 0.56710600 0.04677800 0.75890500 1.0
Cd Cd14 1 0.79677800 0.53787300 0.97967200 1.0
Cd Cd15 1 0.29677800 0.31710600 0.25890500 1.0
Cd Cd16 1 0.41411900 0.69480900 0.50404400 1.0
Cd Cd17 1 0.91411900 0.41007500 0.71931000 1.0
Cd Cd18 1 0.94480900 0.16411900 0.00404400 1.0
Cd Cd19 1 0.44480900 0.44076500 0.78069000 1.0
Cd Cd20 1 0.33588100 0.55519100 0.99595600 1.0
Cd Cd21 1 0.83588100 0.83992500 0.78069000 1.0
Cd Cd22 1 0.80519100 0.08588100 0.49595600 1.0
Cd Cd23 1 0.30519100 0.80923500 0.71931000 1.0
Cd Cd24 1 0.69076500 0.19480900 0.28069000 1.0
Cd Cd25 1 0.19076500 0.91007500 0.49595600 1.0
Cd Cd26 1 0.66007500 0.66411900 0.21931000 1.0
Cd Cd27 1 0.16007500 0.94076500 0.99595600 1.0
Cd Cd28 1 0.05923500 0.05519100 0.21931000 1.0
Cd Cd29 1 0.55923500 0.33992500 0.00404400 1.0
Cd Cd30 1 0.08992500 0.58588100 0.28069000 1.0
Cd Cd31 1 0.58992500 0.30923500 0.50404400 1.0
Cd Cd32 1 0.43123900 0.16815700 0.97442100 1.0
Cd Cd33 1 0.93123900 0.95681900 0.26308300 1.0
Cd Cd34 1 0.41815700 0.18123900 0.47442100 1.0
Cd Cd35 1 0.91815700 0.44373600 0.23691700 1.0
Cd Cd36 1 0.31876100 0.08184300 0.52557900 1.0
Cd Cd37 1 0.81876100 0.29318100 0.23691700 1.0
Cd Cd38 1 0.33184300 0.06876100 0.02557900 1.0
Cd Cd39 1 0.83184300 0.80626400 0.26308300 1.0
Cd Cd40 1 0.69373600 0.66815700 0.73691700 1.0
Cd Cd41 1 0.19373600 0.45681900 0.02557900 1.0
Cd Cd42 1 0.20681900 0.68123900 0.76308300 1.0
Cd Cd43 1 0.70681900 0.94373600 0.52557900 1.0
Cd Cd44 1 0.05626400 0.58184300 0.76308300 1.0
Cd Cd45 1 0.55626400 0.79318100 0.47442100 1.0
Cd Cd46 1 0.54318100 0.56876100 0.73691700 1.0
Cd Cd47 1 0.04318100 0.30626400 0.97442100 1.0
As As48 1 0.49752500 0.25956900 0.25333900 1.0
As As49 1 0.99752500 0.74418600 0.23795700 1.0
As As50 1 0.50956900 0.24752500 0.75333900 1.0
As As51 1 0.00956900 0.25622900 0.26204300 1.0
As As52 1 0.25247500 0.99043100 0.24666100 1.0
As As53 1 0.75247500 0.50581400 0.26204300 1.0
As As54 1 0.24043100 0.00247500 0.74666100 1.0
As As55 1 0.74043100 0.99377100 0.23795700 1.0
As As56 1 0.50622900 0.75956900 0.76204300 1.0
As As57 1 0.00622900 0.24418600 0.74666100 1.0
As As58 1 0.99418600 0.74752500 0.73795700 1.0
As As59 1 0.49418600 0.75622900 0.24666100 1.0
As As60 1 0.24377100 0.49043100 0.73795700 1.0
As As61 1 0.74377100 0.00581400 0.75333900 1.0
As As62 1 0.75581400 0.50247500 0.76204300 1.0
As As63 1 0.25581400 0.49377100 0.25333900 1.0
As As64 1 0.37549300 0.37549300 0.00000000 1.0
As As65 1 0.87549300 0.87549300 0.00000000 1.0
As As66 1 0.62549300 0.12549300 0.50000000 1.0
As As67 1 0.12549300 0.62549300 0.50000000 1.0
As As68 1 0.37450700 0.87450700 0.50000000 1.0
As As69 1 0.87450700 0.37450700 0.50000000 1.0
As As70 1 0.12450700 0.12450700 0.00000000 1.0
As As71 1 0.62450700 0.62450700 0.00000000 1.0
As As72 1 0.62500000 0.63579200 0.51079200 1.0
As As73 1 0.12500000 0.61420800 0.98920800 1.0
As As74 1 0.88579200 0.37500000 0.01079200 1.0
As As75 1 0.38579200 0.37500000 0.51079200 1.0
As As76 1 0.86420800 0.87500000 0.48920800 1.0
As As77 1 0.36420800 0.87500000 0.98920800 1.0
As As78 1 0.62500000 0.13579200 0.01079200 1.0
As As79 1 0.12500000 0.11420800 0.48920800 1.0