Na26Cd141
传统材料 TRAMP-ID: mp-680434 · 空间群: P6/mmm (#191)
基础信息
化学式
Na26Cd141
MP-ID
mp-680434
元素数
2
位点数
167
密度
6.8278
g/cm³
体积
4,000.10
ų
晶胞参数 a
21.7027
Å
晶胞参数 b
21.7027
Å
晶胞参数 c
9.8064
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6/mmm
点群
6/mmm
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.03888
eV/atom
能量/原子
-1.05832
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-1.0583
eV/atom
体积/原子
23.95
ų
c/a 比
0.4519
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
0.0172
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 · 0.844
元素家族
N/A
溶质分数
0.156
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.628
家族
Binary Alloy
基质元素
Cd · 0.844
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-680434
参考引用
The crystal structure and related material properties of Na26Cd141 were obtained from the Materials Project database (MP-ID: mp-680434, 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_Na26Cd141
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 21.70274208
_cell_length_b 21.70274208
_cell_length_c 9.80643300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000025
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na26Cd141
_chemical_formula_sum 'Na26 Cd141'
_cell_volume 4000.10060809
_cell_formula_units_Z 1
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
Na Na0 1 0.24163800 0.75836200 0.00000000 1.0
Na Na1 1 0.75836200 0.24163800 0.00000000 1.0
Na Na2 1 0.51672400 0.75836200 0.00000000 1.0
Na Na3 1 0.72358200 0.72358200 0.69145000 1.0
Na Na4 1 0.57560000 0.15119900 0.50000000 1.0
Na Na5 1 0.24163800 0.48327600 0.00000000 1.0
Na Na6 1 0.00000000 0.00000000 0.82370800 1.0
Na Na7 1 0.00000000 0.72358200 0.69145000 1.0
Na Na8 1 0.42440000 0.84880100 0.50000000 1.0
Na Na9 1 0.00000000 0.00000000 0.17629200 1.0
Na Na10 1 0.84880100 0.42440000 0.50000000 1.0
Na Na11 1 0.72358200 0.00000000 0.69145000 1.0
Na Na12 1 0.57560000 0.42440000 0.50000000 1.0
Na Na13 1 0.42440000 0.57560000 0.50000000 1.0
Na Na14 1 0.72358200 0.72358200 0.30855000 1.0
Na Na15 1 0.00000000 0.72358200 0.30855000 1.0
Na Na16 1 0.75836200 0.51672400 0.00000000 1.0
Na Na17 1 0.00000000 0.27641800 0.69145000 1.0
Na Na18 1 0.00000000 0.27641800 0.30855000 1.0
Na Na19 1 0.48327600 0.24163800 0.00000000 1.0
Na Na20 1 0.27641800 0.00000000 0.69145000 1.0
Na Na21 1 0.27641800 0.00000000 0.30855000 1.0
Na Na22 1 0.72358200 0.00000000 0.30855000 1.0
Na Na23 1 0.15119900 0.57560000 0.50000000 1.0
Na Na24 1 0.27641800 0.27641800 0.30855000 1.0
Na Na25 1 0.27641800 0.27641800 0.69145000 1.0
Cd Cd26 1 0.35771800 0.17885900 0.24308500 1.0
Cd Cd27 1 0.81123000 0.90561500 0.23836900 1.0
Cd Cd28 1 0.18877000 0.09438500 0.23836900 1.0
Cd Cd29 1 0.17885900 0.35771800 0.75691500 1.0
Cd Cd30 1 0.59185200 0.72099400 0.50000000 1.0
Cd Cd31 1 0.42042800 0.00000000 0.50000000 1.0
Cd Cd32 1 0.82114100 0.64228200 0.75691500 1.0
Cd Cd33 1 0.15032900 0.15032900 0.00000000 1.0
Cd Cd34 1 0.45444900 0.11088800 0.22402900 1.0
Cd Cd35 1 0.17885900 0.82114100 0.75691500 1.0
Cd Cd36 1 0.11088800 0.65643900 0.22402900 1.0
Cd Cd37 1 0.59185200 0.87085700 0.50000000 1.0
Cd Cd38 1 0.54555100 0.88911200 0.22402900 1.0
Cd Cd39 1 0.08344000 0.76677900 0.00000000 1.0
Cd Cd40 1 0.23322100 0.91656000 0.00000000 1.0
Cd Cd41 1 0.44624700 0.55375300 0.00000000 1.0
Cd Cd42 1 0.09438500 0.90561500 0.23836900 1.0
Cd Cd43 1 0.65643900 0.54555100 0.22402900 1.0
Cd Cd44 1 0.82114100 0.64228200 0.24308500 1.0
Cd Cd45 1 0.88911200 0.54555100 0.22402900 1.0
Cd Cd46 1 0.13826500 0.13826500 0.50000000 1.0
Cd Cd47 1 0.57957200 0.57957200 0.50000000 1.0
Cd Cd48 1 0.11088800 0.45444900 0.77597100 1.0
Cd Cd49 1 0.76160600 0.38080300 0.16125800 1.0
Cd Cd50 1 0.47629200 0.73814600 0.65467000 1.0
Cd Cd51 1 0.10750600 0.55375300 0.00000000 1.0
Cd Cd52 1 0.12914300 0.40814800 0.50000000 1.0
Cd Cd53 1 0.15032900 0.00000000 0.00000000 1.0
Cd Cd54 1 0.64228200 0.82114100 0.75691500 1.0
Cd Cd55 1 0.09438500 0.18877000 0.23836900 1.0
Cd Cd56 1 0.60664000 0.00000000 0.00000000 1.0
Cd Cd57 1 0.34356100 0.45444900 0.22402900 1.0
Cd Cd58 1 0.00000000 0.57957200 0.50000000 1.0
Cd Cd59 1 0.45444900 0.34356100 0.22402900 1.0
Cd Cd60 1 0.00000000 0.50000000 0.24619800 1.0
Cd Cd61 1 0.13649800 0.27299600 0.50000000 1.0
Cd Cd62 1 0.00000000 0.86173500 0.50000000 1.0
Cd Cd63 1 0.13826500 0.00000000 0.50000000 1.0
Cd Cd64 1 0.33333300 0.66666700 0.50000000 1.0
Cd Cd65 1 0.86350200 0.72700400 0.50000000 1.0
Cd Cd66 1 0.27900600 0.87085700 0.50000000 1.0
Cd Cd67 1 0.86173500 0.86173500 0.50000000 1.0
Cd Cd68 1 0.87085700 0.27900600 0.50000000 1.0
Cd Cd69 1 0.87085700 0.59185200 0.50000000 1.0
Cd Cd70 1 0.08344000 0.31666000 0.00000000 1.0
Cd Cd71 1 0.84967100 0.00000000 0.00000000 1.0
Cd Cd72 1 0.38080300 0.76160600 0.83874200 1.0
Cd Cd73 1 0.90561500 0.81123000 0.76163100 1.0
Cd Cd74 1 0.23322100 0.31666000 0.00000000 1.0
Cd Cd75 1 0.13649800 0.86350200 0.50000000 1.0
Cd Cd76 1 0.00000000 0.42042800 0.50000000 1.0
Cd Cd77 1 0.55375300 0.10750600 0.00000000 1.0
Cd Cd78 1 0.73814600 0.47629200 0.65467000 1.0
Cd Cd79 1 0.34356100 0.88911200 0.22402900 1.0
Cd Cd80 1 0.68334000 0.91656000 0.00000000 1.0
Cd Cd81 1 0.26185400 0.52370800 0.65467000 1.0
Cd Cd82 1 0.81123000 0.90561500 0.76163100 1.0
Cd Cd83 1 0.82114100 0.17885900 0.75691500 1.0
Cd Cd84 1 0.40814800 0.27900600 0.50000000 1.0
Cd Cd85 1 0.89249400 0.44624700 0.00000000 1.0
Cd Cd86 1 0.09438500 0.18877000 0.76163100 1.0
Cd Cd87 1 0.73814600 0.47629200 0.34533000 1.0
Cd Cd88 1 0.73814600 0.26185400 0.65467000 1.0
Cd Cd89 1 0.00000000 0.60664000 0.00000000 1.0
Cd Cd90 1 0.86350200 0.13649800 0.50000000 1.0
Cd Cd91 1 0.00000000 0.13826500 0.50000000 1.0
Cd Cd92 1 0.90561500 0.09438500 0.23836900 1.0
Cd Cd93 1 0.44624700 0.89249400 0.00000000 1.0
Cd Cd94 1 0.54555100 0.65643900 0.22402900 1.0
Cd Cd95 1 0.65643900 0.54555100 0.77597100 1.0
Cd Cd96 1 0.26185400 0.52370800 0.34533000 1.0
Cd Cd97 1 0.17885900 0.35771800 0.24308500 1.0
Cd Cd98 1 0.23839400 0.61919700 0.83874200 1.0
Cd Cd99 1 0.45444900 0.34356100 0.77597100 1.0
Cd Cd100 1 0.54555100 0.88911200 0.77597100 1.0
Cd Cd101 1 0.00000000 0.84967100 0.00000000 1.0
Cd Cd102 1 0.18877000 0.09438500 0.76163100 1.0
Cd Cd103 1 0.42042800 0.42042800 0.50000000 1.0
Cd Cd104 1 0.00000000 0.39336000 0.00000000 1.0
Cd Cd105 1 0.00000000 0.50000000 0.75380200 1.0
Cd Cd106 1 0.61919700 0.38080300 0.16125800 1.0
Cd Cd107 1 0.00000000 0.15032900 0.00000000 1.0
Cd Cd108 1 0.11088800 0.45444900 0.22402900 1.0
Cd Cd109 1 0.52370800 0.26185400 0.34533000 1.0
Cd Cd110 1 0.40814800 0.12914300 0.50000000 1.0
Cd Cd111 1 0.88911200 0.54555100 0.77597100 1.0
Cd Cd112 1 0.31666000 0.23322100 0.00000000 1.0
Cd Cd113 1 0.50000000 0.00000000 0.75380200 1.0
Cd Cd114 1 0.12914300 0.72099400 0.50000000 1.0
Cd Cd115 1 0.72700400 0.86350200 0.50000000 1.0
Cd Cd116 1 0.38080300 0.61919700 0.16125800 1.0
Cd Cd117 1 0.72099400 0.59185200 0.50000000 1.0
Cd Cd118 1 0.39336000 0.00000000 0.00000000 1.0
Cd Cd119 1 0.91656000 0.23322100 0.00000000 1.0
Cd Cd120 1 0.76677900 0.08344000 0.00000000 1.0
Cd Cd121 1 0.35771800 0.17885900 0.75691500 1.0
Cd Cd122 1 0.84967100 0.84967100 0.00000000 1.0
Cd Cd123 1 0.27299600 0.13649800 0.50000000 1.0
Cd Cd124 1 0.50000000 0.50000000 0.24619800 1.0
Cd Cd125 1 0.50000000 0.50000000 0.75380200 1.0
Cd Cd126 1 0.82114100 0.17885900 0.24308500 1.0
Cd Cd127 1 0.52370800 0.26185400 0.65467000 1.0
Cd Cd128 1 0.66666700 0.33333300 0.50000000 1.0
Cd Cd129 1 0.17885900 0.82114100 0.24308500 1.0
Cd Cd130 1 0.61919700 0.23839400 0.16125800 1.0
Cd Cd131 1 0.34356100 0.45444900 0.77597100 1.0
Cd Cd132 1 0.61919700 0.38080300 0.83874200 1.0
Cd Cd133 1 0.86173500 0.00000000 0.50000000 1.0
Cd Cd134 1 0.38080300 0.61919700 0.83874200 1.0
Cd Cd135 1 0.54555100 0.65643900 0.77597100 1.0
Cd Cd136 1 0.65643900 0.11088800 0.77597100 1.0
Cd Cd137 1 0.76160600 0.38080300 0.83874200 1.0
Cd Cd138 1 0.73814600 0.26185400 0.34533000 1.0
Cd Cd139 1 0.26185400 0.73814600 0.34533000 1.0
Cd Cd140 1 0.39336000 0.39336000 0.00000000 1.0
Cd Cd141 1 0.65643900 0.11088800 0.22402900 1.0
Cd Cd142 1 0.23839400 0.61919700 0.16125800 1.0
Cd Cd143 1 0.88911200 0.34356100 0.77597100 1.0
Cd Cd144 1 0.55375300 0.44624700 0.00000000 1.0
Cd Cd145 1 0.31666000 0.08344000 0.00000000 1.0
Cd Cd146 1 0.90561500 0.09438500 0.76163100 1.0
Cd Cd147 1 0.47629200 0.73814600 0.34533000 1.0
Cd Cd148 1 0.34356100 0.88911200 0.77597100 1.0
Cd Cd149 1 0.61919700 0.23839400 0.83874200 1.0
Cd Cd150 1 0.72099400 0.12914300 0.50000000 1.0
Cd Cd151 1 0.45444900 0.11088800 0.77597100 1.0
Cd Cd152 1 0.91656000 0.68334000 0.00000000 1.0
Cd Cd153 1 0.88911200 0.34356100 0.22402900 1.0
Cd Cd154 1 0.09438500 0.90561500 0.76163100 1.0
Cd Cd155 1 0.00000000 0.00000000 0.50000000 1.0
Cd Cd156 1 0.27900600 0.40814800 0.50000000 1.0
Cd Cd157 1 0.90561500 0.81123000 0.23836900 1.0
Cd Cd158 1 0.57957200 0.00000000 0.50000000 1.0
Cd Cd159 1 0.26185400 0.73814600 0.65467000 1.0
Cd Cd160 1 0.76677900 0.68334000 0.00000000 1.0
Cd Cd161 1 0.50000000 0.00000000 0.24619800 1.0
Cd Cd162 1 0.68334000 0.76677900 0.00000000 1.0
Cd Cd163 1 0.60664000 0.60664000 0.00000000 1.0
Cd Cd164 1 0.38080300 0.76160600 0.16125800 1.0
Cd Cd165 1 0.11088800 0.65643900 0.77597100 1.0
Cd Cd166 1 0.64228200 0.82114100 0.24308500 1.0