Nd11Cd45
传统材料 TRAMP-ID: mp-1205000 · 空间群: F-43m (#216)
基础信息
化学式
Nd11Cd45
MP-ID
mp-1205000
元素数
2
位点数
112
密度
8.1992
g/cm³
体积
2,691.63
ų
晶胞参数 a
15.6139
Å
晶胞参数 b
15.6139
Å
晶胞参数 c
15.6139
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
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.24375
eV/atom
能量/原子
-1.95179
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-1.9518
eV/atom
体积/原子
24.03
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
0.4261
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000160
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 · 0.804
元素家族
N/A
溶质分数
0.196
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.723
家族
Binary Alloy
基质元素
Cd · 0.804
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-1205000
参考引用
The crystal structure and related material properties of Nd11Cd45 were obtained from the Materials Project database (MP-ID: mp-1205000, 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_Nd11Cd45
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.61385535
_cell_length_b 15.61385535
_cell_length_c 15.61385535
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd11Cd45
_chemical_formula_sum 'Nd22 Cd90'
_cell_volume 2691.63060212
_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
Nd Nd0 1 0.00000000 0.00000000 0.00000000 1.0
Nd Nd1 1 0.01308000 0.33229400 0.64154500 1.0
Nd Nd2 1 0.01308000 0.01308000 0.64154500 1.0
Nd Nd3 1 0.33229400 0.01308000 0.64154500 1.0
Nd Nd4 1 0.01308000 0.64154500 0.33229400 1.0
Nd Nd5 1 0.33229400 0.64154500 0.01308000 1.0
Nd Nd6 1 0.01308000 0.64154500 0.01308000 1.0
Nd Nd7 1 0.64154500 0.01308000 0.01308000 1.0
Nd Nd8 1 0.64154500 0.33229400 0.01308000 1.0
Nd Nd9 1 0.64154500 0.01308000 0.33229400 1.0
Nd Nd10 1 0.33229400 0.01308000 0.01308000 1.0
Nd Nd11 1 0.01308000 0.01308000 0.33229400 1.0
Nd Nd12 1 0.01308000 0.33229400 0.01308000 1.0
Nd Nd13 1 0.25000000 0.25000000 0.25000000 1.0
Nd Nd14 1 0.40661400 0.40661400 0.78015900 1.0
Nd Nd15 1 0.40661400 0.78015900 0.40661400 1.0
Nd Nd16 1 0.78015900 0.40661400 0.40661400 1.0
Nd Nd17 1 0.40661400 0.40661400 0.40661400 1.0
Nd Nd18 1 0.66350200 0.66350200 0.00949300 1.0
Nd Nd19 1 0.66350200 0.00949300 0.66350200 1.0
Nd Nd20 1 0.00949300 0.66350200 0.66350200 1.0
Nd Nd21 1 0.66350200 0.66350200 0.66350200 1.0
Cd Cd22 1 0.08323900 0.08323900 0.75028200 1.0
Cd Cd23 1 0.08323900 0.75028200 0.08323900 1.0
Cd Cd24 1 0.75028200 0.08323900 0.08323900 1.0
Cd Cd25 1 0.08323900 0.08323900 0.08323900 1.0
Cd Cd26 1 0.91325400 0.91325400 0.26023700 1.0
Cd Cd27 1 0.91325400 0.26023700 0.91325400 1.0
Cd Cd28 1 0.26023700 0.91325400 0.91325400 1.0
Cd Cd29 1 0.91325400 0.91325400 0.91325400 1.0
Cd Cd30 1 0.15682900 0.15682900 0.84317100 1.0
Cd Cd31 1 0.84317100 0.15682900 0.84317100 1.0
Cd Cd32 1 0.15682900 0.84317100 0.84317100 1.0
Cd Cd33 1 0.84317100 0.84317100 0.15682900 1.0
Cd Cd34 1 0.15682900 0.84317100 0.15682900 1.0
Cd Cd35 1 0.84317100 0.15682900 0.15682900 1.0
Cd Cd36 1 0.39088100 0.20065900 0.01757800 1.0
Cd Cd37 1 0.39088100 0.39088100 0.01757800 1.0
Cd Cd38 1 0.20065900 0.39088100 0.01757800 1.0
Cd Cd39 1 0.39088100 0.01757800 0.20065900 1.0
Cd Cd40 1 0.20065900 0.01757800 0.39088100 1.0
Cd Cd41 1 0.39088100 0.01757800 0.39088100 1.0
Cd Cd42 1 0.01757800 0.39088100 0.39088100 1.0
Cd Cd43 1 0.01757800 0.20065900 0.39088100 1.0
Cd Cd44 1 0.01757800 0.39088100 0.20065900 1.0
Cd Cd45 1 0.20065900 0.39088100 0.39088100 1.0
Cd Cd46 1 0.39088100 0.39088100 0.20065900 1.0
Cd Cd47 1 0.39088100 0.20065900 0.39088100 1.0
Cd Cd48 1 0.16311400 0.16311400 0.51065800 1.0
Cd Cd49 1 0.16311400 0.51065800 0.16311400 1.0
Cd Cd50 1 0.51065800 0.16311400 0.16311400 1.0
Cd Cd51 1 0.16311400 0.16311400 0.16311400 1.0
Cd Cd52 1 0.26338900 0.61229800 0.86092300 1.0
Cd Cd53 1 0.26338900 0.26338900 0.86092300 1.0
Cd Cd54 1 0.61229800 0.26338900 0.86092300 1.0
Cd Cd55 1 0.26338900 0.86092300 0.61229800 1.0
Cd Cd56 1 0.61229800 0.86092300 0.26338900 1.0
Cd Cd57 1 0.26338900 0.86092300 0.26338900 1.0
Cd Cd58 1 0.86092300 0.26338900 0.26338900 1.0
Cd Cd59 1 0.86092300 0.61229800 0.26338900 1.0
Cd Cd60 1 0.86092300 0.26338900 0.61229800 1.0
Cd Cd61 1 0.61229800 0.26338900 0.26338900 1.0
Cd Cd62 1 0.26338900 0.26338900 0.61229800 1.0
Cd Cd63 1 0.26338900 0.61229800 0.26338900 1.0
Cd Cd64 1 0.50000000 0.50000000 0.50000000 1.0
Cd Cd65 1 0.64098400 0.45027800 0.26775400 1.0
Cd Cd66 1 0.64098400 0.64098400 0.26775400 1.0
Cd Cd67 1 0.45027800 0.64098400 0.26775400 1.0
Cd Cd68 1 0.64098400 0.26775400 0.45027800 1.0
Cd Cd69 1 0.45027800 0.26775400 0.64098400 1.0
Cd Cd70 1 0.64098400 0.26775400 0.64098400 1.0
Cd Cd71 1 0.26775400 0.64098400 0.64098400 1.0
Cd Cd72 1 0.26775400 0.45027800 0.64098400 1.0
Cd Cd73 1 0.26775400 0.64098400 0.45027800 1.0
Cd Cd74 1 0.45027800 0.64098400 0.64098400 1.0
Cd Cd75 1 0.64098400 0.64098400 0.45027800 1.0
Cd Cd76 1 0.64098400 0.45027800 0.64098400 1.0
Cd Cd77 1 0.51265900 0.83307000 0.14161100 1.0
Cd Cd78 1 0.51265900 0.51265900 0.14161100 1.0
Cd Cd79 1 0.83307000 0.51265900 0.14161100 1.0
Cd Cd80 1 0.51265900 0.14161100 0.83307000 1.0
Cd Cd81 1 0.83307000 0.14161100 0.51265900 1.0
Cd Cd82 1 0.51265900 0.14161100 0.51265900 1.0
Cd Cd83 1 0.14161100 0.51265900 0.51265900 1.0
Cd Cd84 1 0.14161100 0.83307000 0.51265900 1.0
Cd Cd85 1 0.14161100 0.51265900 0.83307000 1.0
Cd Cd86 1 0.83307000 0.51265900 0.51265900 1.0
Cd Cd87 1 0.51265900 0.51265900 0.83307000 1.0
Cd Cd88 1 0.51265900 0.83307000 0.51265900 1.0
Cd Cd89 1 0.75000000 0.75000000 0.75000000 1.0
Cd Cd90 1 0.83009400 0.83009400 0.50971800 1.0
Cd Cd91 1 0.83009400 0.50971800 0.83009400 1.0
Cd Cd92 1 0.50971800 0.83009400 0.83009400 1.0
Cd Cd93 1 0.83009400 0.83009400 0.83009400 1.0
Cd Cd94 1 0.91307800 0.91307800 0.58692200 1.0
Cd Cd95 1 0.58692200 0.91307800 0.58692200 1.0
Cd Cd96 1 0.91307800 0.58692200 0.58692200 1.0
Cd Cd97 1 0.58692200 0.58692200 0.91307800 1.0
Cd Cd98 1 0.91307800 0.58692200 0.91307800 1.0
Cd Cd99 1 0.58692200 0.91307800 0.91307800 1.0
Cd Cd100 1 0.76345000 0.06915600 0.40394500 1.0
Cd Cd101 1 0.76345000 0.76345000 0.40394500 1.0
Cd Cd102 1 0.06915600 0.76345000 0.40394500 1.0
Cd Cd103 1 0.76345000 0.40394500 0.06915600 1.0
Cd Cd104 1 0.06915600 0.40394500 0.76345000 1.0
Cd Cd105 1 0.76345000 0.40394500 0.76345000 1.0
Cd Cd106 1 0.40394500 0.76345000 0.76345000 1.0
Cd Cd107 1 0.40394500 0.06915600 0.76345000 1.0
Cd Cd108 1 0.40394500 0.76345000 0.06915600 1.0
Cd Cd109 1 0.06915600 0.76345000 0.76345000 1.0
Cd Cd110 1 0.76345000 0.76345000 0.06915600 1.0
Cd Cd111 1 0.76345000 0.06915600 0.76345000 1.0