Nd13Cd58
传统材料 TRAMP-ID: mp-581958 · 空间群: P6_3/mmc (#194)
基础信息
化学式
Nd13Cd58
MP-ID
mp-581958
元素数
2
位点数
142
密度
8.3231
g/cm³
体积
3,349.75
ų
晶胞参数 a
15.8114
Å
晶胞参数 b
15.8114
Å
晶胞参数 c
15.4719
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6_3/mmc
点群
6/mmm
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
No
堆积分数
0.7405
能量属性
形成能/原子
-0.21855
eV/atom
能量/原子
-1.87583
eV/atom
凸包距离
0.0089
eV/atom
未修正能量
-22.1132
eV/atom
体积/原子
23.59
ų
c/a 比
0.9785
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 · 0.817
元素家族
N/A
溶质分数
0.183
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
Cd · 0.817
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-581958
参考引用
The crystal structure and related material properties of Nd13Cd58 were obtained from the Materials Project database (MP-ID: mp-581958, 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_Nd13Cd58
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.81137707
_cell_length_b 15.81137747
_cell_length_c 15.47186350
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999914
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd13Cd58
_chemical_formula_sum 'Nd26 Cd116'
_cell_volume 3349.75206468
_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 0.41059715 0.20529858 0.55211625 1.0
Nd Nd1 1 0.87160828 0.74321657 0.25000000 1.0
Nd Nd2 1 0.20529858 0.41059715 0.05211625 1.0
Nd Nd3 1 0.08703854 0.54351927 0.75000000 1.0
Nd Nd4 1 0.79470142 0.58940285 0.94788375 1.0
Nd Nd5 1 0.79470142 0.20529858 0.55211625 1.0
Nd Nd6 1 0.91296146 0.45648073 0.25000000 1.0
Nd Nd7 1 0.79470142 0.20529858 0.94788375 1.0
Nd Nd8 1 0.79470142 0.58940285 0.55211625 1.0
Nd Nd9 1 0.45648073 0.91296146 0.75000000 1.0
Nd Nd10 1 0.12839172 0.87160828 0.75000000 1.0
Nd Nd11 1 0.87160828 0.12839172 0.25000000 1.0
Nd Nd12 1 0.58940285 0.79470142 0.05211625 1.0
Nd Nd13 1 0.58940285 0.79470142 0.44788375 1.0
Nd Nd14 1 0.20529858 0.79470142 0.44788375 1.0
Nd Nd15 1 -0.00000000 0.00000000 -0.00000000 1.0
Nd Nd16 1 0.45648073 0.54351927 0.75000000 1.0
Nd Nd17 1 0.54351927 0.08703854 0.25000000 1.0
Nd Nd18 1 0.12839172 0.25678343 0.75000000 1.0
Nd Nd19 1 0.74321657 0.87160828 0.75000000 1.0
Nd Nd20 1 0.20529858 0.41059715 0.44788375 1.0
Nd Nd21 1 0.41059715 0.20529858 0.94788375 1.0
Nd Nd22 1 -0.00000000 0.00000000 0.50000000 1.0
Nd Nd23 1 0.25678343 0.12839172 0.25000000 1.0
Nd Nd24 1 0.20529858 0.79470142 0.05211625 1.0
Nd Nd25 1 0.54351927 0.45648073 0.25000000 1.0
Cd Cd26 1 0.90707452 0.09292548 0.65601179 1.0
Cd Cd27 1 1.00000000 0.19895338 -0.00000000 1.0
Cd Cd28 1 0.63487525 0.96447741 0.60213869 1.0
Cd Cd29 1 0.36512475 0.32960216 0.39786131 1.0
Cd Cd30 1 0.67039784 0.63487525 0.10213869 1.0
Cd Cd31 1 0.60050563 0.39949437 0.05119097 1.0
Cd Cd32 1 0.63487525 0.67039784 0.89786131 1.0
Cd Cd33 1 0.96447741 0.63487525 0.10213869 1.0
Cd Cd34 1 0.20101127 0.60050563 0.94880903 1.0
Cd Cd35 1 0.09292548 0.90707452 0.34398821 1.0
Cd Cd36 1 0.56133845 0.12267689 0.64570958 1.0
Cd Cd37 1 0.81414904 0.90707452 0.34398821 1.0
Cd Cd38 1 0.73253512 0.26746488 0.75000000 1.0
Cd Cd39 1 0.43866155 0.87732311 0.35429042 1.0
Cd Cd40 1 0.32960216 0.36512475 0.89786131 1.0
Cd Cd41 1 0.03552259 0.67039784 0.89786131 1.0
Cd Cd42 1 0.52974267 0.76487134 0.84207067 1.0
Cd Cd43 1 0.80104662 0.80104662 -0.00000000 1.0
Cd Cd44 1 0.36512475 0.03552259 0.39786131 1.0
Cd Cd45 1 1.00000000 0.19895338 0.50000000 1.0
Cd Cd46 1 0.91796389 0.64158683 0.75000000 1.0
Cd Cd47 1 0.19895338 0.19895338 0.50000000 1.0
Cd Cd48 1 0.67039784 0.03552259 0.10213869 1.0
Cd Cd49 1 0.60050563 0.39949437 0.44880903 1.0
Cd Cd50 1 0.76487134 0.52974267 0.34207067 1.0
Cd Cd51 1 0.76487134 0.52974267 0.15792933 1.0
Cd Cd52 1 0.96447741 0.32960216 0.10213869 1.0
Cd Cd53 1 0.66666700 0.33333300 0.59589692 1.0
Cd Cd54 1 0.27637707 0.91796389 0.25000000 1.0
Cd Cd55 1 0.47025733 0.23512866 0.34207067 1.0
Cd Cd56 1 0.03552259 0.36512475 0.60213869 1.0
Cd Cd57 1 0.33333300 0.66666700 0.75000000 1.0
Cd Cd58 1 0.72362293 0.08203611 0.75000000 1.0
Cd Cd59 1 0.03552259 0.36512475 0.89786131 1.0
Cd Cd60 1 0.80104662 0.00000000 0.50000000 1.0
Cd Cd61 1 0.60050563 0.20101127 0.44880903 1.0
Cd Cd62 1 0.67039784 0.03552259 0.39786131 1.0
Cd Cd63 1 0.35841317 0.08203611 0.75000000 1.0
Cd Cd64 1 0.91796389 0.27637707 0.75000000 1.0
Cd Cd65 1 0.00000000 0.80104662 -0.00000000 1.0
Cd Cd66 1 0.43866155 0.56133845 0.14570958 1.0
Cd Cd67 1 0.12267689 0.56133845 0.35429042 1.0
Cd Cd68 1 0.50000000 0.00000000 0.50000000 1.0
Cd Cd69 1 0.90707452 0.81414904 0.84398821 1.0
Cd Cd70 1 0.09292548 0.18585096 0.15601179 1.0
Cd Cd71 1 0.03552259 0.67039784 0.60213869 1.0
Cd Cd72 1 0.32960216 0.36512475 0.60213869 1.0
Cd Cd73 1 0.56133845 0.12267689 0.85429042 1.0
Cd Cd74 1 0.20101127 0.60050563 0.55119097 1.0
Cd Cd75 1 0.63487525 0.67039784 0.60213869 1.0
Cd Cd76 1 0.43866155 0.56133845 0.35429042 1.0
Cd Cd77 1 -0.00000000 0.00000000 0.25000000 1.0
Cd Cd78 1 0.60050563 0.20101127 0.05119097 1.0
Cd Cd79 1 0.79898873 0.39949437 0.44880903 1.0
Cd Cd80 1 0.73253512 0.46507023 0.75000000 1.0
Cd Cd81 1 0.39949437 0.79898873 0.94880903 1.0
Cd Cd82 1 0.66666700 0.33333300 0.90410308 1.0
Cd Cd83 1 0.23512866 0.47025733 0.84207067 1.0
Cd Cd84 1 0.76487134 0.23512866 0.15792933 1.0
Cd Cd85 1 0.27637707 0.35841317 0.25000000 1.0
Cd Cd86 1 0.39949437 0.60050563 0.55119097 1.0
Cd Cd87 1 0.36512475 0.03552259 0.10213869 1.0
Cd Cd88 1 0.76487134 0.23512866 0.34207067 1.0
Cd Cd89 1 0.81414904 0.90707452 0.15601179 1.0
Cd Cd90 1 0.32960216 0.96447741 0.89786131 1.0
Cd Cd91 1 0.87732311 0.43866155 0.85429042 1.0
Cd Cd92 1 0.90707452 0.81414904 0.65601179 1.0
Cd Cd93 1 0.12267689 0.56133845 0.14570958 1.0
Cd Cd94 1 0.96447741 0.32960216 0.39786131 1.0
Cd Cd95 1 0.64158683 0.72362293 0.25000000 1.0
Cd Cd96 1 0.56133845 0.43866155 0.85429042 1.0
Cd Cd97 1 0.47025733 0.23512866 0.15792933 1.0
Cd Cd98 1 0.80104662 0.80104662 0.50000000 1.0
Cd Cd99 1 -0.00000000 0.00000000 0.75000000 1.0
Cd Cd100 1 0.18585096 0.09292548 0.65601179 1.0
Cd Cd101 1 0.19895338 0.19895338 -0.00000000 1.0
Cd Cd102 1 0.19895338 0.00000000 0.50000000 1.0
Cd Cd103 1 0.08203611 0.35841317 0.25000000 1.0
Cd Cd104 1 0.67039784 0.63487525 0.39786131 1.0
Cd Cd105 1 0.52974267 0.76487134 0.65792933 1.0
Cd Cd106 1 0.79898873 0.39949437 0.05119097 1.0
Cd Cd107 1 0.36512475 0.32960216 0.10213869 1.0
Cd Cd108 1 0.23512866 0.76487134 0.84207067 1.0
Cd Cd109 1 0.66666700 0.33333300 0.25000000 1.0
Cd Cd110 1 0.43866155 0.87732311 0.14570958 1.0
Cd Cd111 1 0.50000000 0.50000000 -0.00000000 1.0
Cd Cd112 1 -0.00000000 0.50000000 0.50000000 1.0
Cd Cd113 1 0.23512866 0.76487134 0.65792933 1.0
Cd Cd114 1 0.33333300 0.66666700 0.40410308 1.0
Cd Cd115 1 0.19895338 0.00000000 -0.00000000 1.0
Cd Cd116 1 0.08203611 0.72362293 0.25000000 1.0
Cd Cd117 1 0.00000000 0.80104662 0.50000000 1.0
Cd Cd118 1 0.63487525 0.96447741 0.89786131 1.0
Cd Cd119 1 0.50000000 0.50000000 0.50000000 1.0
Cd Cd120 1 0.18585096 0.09292548 0.84398821 1.0
Cd Cd121 1 0.53492977 0.26746488 0.75000000 1.0
Cd Cd122 1 0.09292548 0.90707452 0.15601179 1.0
Cd Cd123 1 0.90707452 0.09292548 0.84398821 1.0
Cd Cd124 1 0.56133845 0.43866155 0.64570958 1.0
Cd Cd125 1 0.35841317 0.27637707 0.75000000 1.0
Cd Cd126 1 0.26746488 0.73253512 0.25000000 1.0
Cd Cd127 1 0.96447741 0.63487525 0.39786131 1.0
Cd Cd128 1 0.33333300 0.66666700 0.09589692 1.0
Cd Cd129 1 0.26746488 0.53492977 0.25000000 1.0
Cd Cd130 1 0.80104662 0.00000000 -0.00000000 1.0
Cd Cd131 1 0.64158683 0.91796389 0.25000000 1.0
Cd Cd132 1 0.50000000 0.00000000 -0.00000000 1.0
Cd Cd133 1 0.87732311 0.43866155 0.64570958 1.0
Cd Cd134 1 0.32960216 0.96447741 0.60213869 1.0
Cd Cd135 1 -0.00000000 0.50000000 -0.00000000 1.0
Cd Cd136 1 0.09292548 0.18585096 0.34398821 1.0
Cd Cd137 1 0.39949437 0.60050563 0.94880903 1.0
Cd Cd138 1 0.23512866 0.47025733 0.65792933 1.0
Cd Cd139 1 0.72362293 0.64158683 0.75000000 1.0
Cd Cd140 1 0.39949437 0.79898873 0.55119097 1.0
Cd Cd141 1 0.46507023 0.73253512 0.25000000 1.0