Sm13Cd58
传统材料 TRAMP-ID: mp-582240 · 空间群: P6_3/mmc (#194)
基础信息
化学式
Sm13Cd58
MP-ID
mp-582240
元素数
2
位点数
142
密度
8.2335
g/cm³
体积
3,418.28
ų
晶胞参数 a
15.9004
Å
晶胞参数 b
15.9004
Å
晶胞参数 c
15.6121
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
-0.20067
eV/atom
能量/原子
-1.84887
eV/atom
凸包距离
0.0173
eV/atom
未修正能量
-1.8489
eV/atom
体积/原子
24.07
ų
c/a 比
0.9819
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
0.0134
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
0.627
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-582240
参考引用
The crystal structure and related material properties of Sm13Cd58 were obtained from the Materials Project database (MP-ID: mp-582240, 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_Sm13Cd58
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.90041807
_cell_length_b 15.90041807
_cell_length_c 15.61204500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000029
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm13Cd58
_chemical_formula_sum 'Sm26 Cd116'
_cell_volume 3418.27903670
_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
Sm Sm0 1 0.41138100 0.20569000 0.55254400 1.0
Sm Sm1 1 0.87169100 0.74338100 0.25000000 1.0
Sm Sm2 1 0.20569000 0.41138100 0.05254400 1.0
Sm Sm3 1 0.08739800 0.54369900 0.75000000 1.0
Sm Sm4 1 0.79431000 0.58861900 0.94745600 1.0
Sm Sm5 1 0.79431000 0.20569000 0.55254400 1.0
Sm Sm6 1 0.91260200 0.45630100 0.25000000 1.0
Sm Sm7 1 0.79431000 0.20569000 0.94745600 1.0
Sm Sm8 1 0.79431000 0.58861900 0.55254400 1.0
Sm Sm9 1 0.45630100 0.91260200 0.75000000 1.0
Sm Sm10 1 0.12830900 0.87169100 0.75000000 1.0
Sm Sm11 1 0.87169100 0.12830900 0.25000000 1.0
Sm Sm12 1 0.58861900 0.79431000 0.05254400 1.0
Sm Sm13 1 0.58861900 0.79431000 0.44745600 1.0
Sm Sm14 1 0.20569000 0.79431000 0.44745600 1.0
Sm Sm15 1 0.00000000 0.00000000 0.00000000 1.0
Sm Sm16 1 0.45630100 0.54369900 0.75000000 1.0
Sm Sm17 1 0.54369900 0.08739800 0.25000000 1.0
Sm Sm18 1 0.12830900 0.25661900 0.75000000 1.0
Sm Sm19 1 0.74338100 0.87169100 0.75000000 1.0
Sm Sm20 1 0.20569000 0.41138100 0.44745600 1.0
Sm Sm21 1 0.41138100 0.20569000 0.94745600 1.0
Sm Sm22 1 0.00000000 0.00000000 0.50000000 1.0
Sm Sm23 1 0.25661900 0.12830900 0.25000000 1.0
Sm Sm24 1 0.20569000 0.79431000 0.05254400 1.0
Sm Sm25 1 0.54369900 0.45630100 0.25000000 1.0
Cd Cd26 1 0.90761200 0.09238800 0.65572300 1.0
Cd Cd27 1 0.00000000 0.19835500 0.00000000 1.0
Cd Cd28 1 0.63525700 0.96402400 0.60218600 1.0
Cd Cd29 1 0.36474300 0.32876600 0.39781400 1.0
Cd Cd30 1 0.67123400 0.63525700 0.10218600 1.0
Cd Cd31 1 0.60027300 0.39972700 0.05192700 1.0
Cd Cd32 1 0.63525700 0.67123400 0.89781400 1.0
Cd Cd33 1 0.96402400 0.63525700 0.10218600 1.0
Cd Cd34 1 0.20054500 0.60027300 0.94807300 1.0
Cd Cd35 1 0.09238800 0.90761200 0.34427700 1.0
Cd Cd36 1 0.56063700 0.12127500 0.64620400 1.0
Cd Cd37 1 0.81522400 0.90761200 0.34427700 1.0
Cd Cd38 1 0.73301100 0.26698900 0.75000000 1.0
Cd Cd39 1 0.43936300 0.87872500 0.35379600 1.0
Cd Cd40 1 0.32876600 0.36474300 0.89781400 1.0
Cd Cd41 1 0.03597600 0.67123400 0.89781400 1.0
Cd Cd42 1 0.53108200 0.76554100 0.84153200 1.0
Cd Cd43 1 0.80164500 0.80164500 0.00000000 1.0
Cd Cd44 1 0.36474300 0.03597600 0.39781400 1.0
Cd Cd45 1 0.00000000 0.19835500 0.50000000 1.0
Cd Cd46 1 0.91880900 0.64279300 0.75000000 1.0
Cd Cd47 1 0.19835500 0.19835500 0.50000000 1.0
Cd Cd48 1 0.67123400 0.03597600 0.10218600 1.0
Cd Cd49 1 0.60027300 0.39972700 0.44807300 1.0
Cd Cd50 1 0.76554100 0.53108200 0.34153200 1.0
Cd Cd51 1 0.76554100 0.53108200 0.15846800 1.0
Cd Cd52 1 0.96402400 0.32876600 0.10218600 1.0
Cd Cd53 1 0.66666700 0.33333300 0.59568400 1.0
Cd Cd54 1 0.27601600 0.91880900 0.25000000 1.0
Cd Cd55 1 0.46891800 0.23445900 0.34153200 1.0
Cd Cd56 1 0.03597600 0.36474300 0.60218600 1.0
Cd Cd57 1 0.33333300 0.66666700 0.75000000 1.0
Cd Cd58 1 0.72398400 0.08119100 0.75000000 1.0
Cd Cd59 1 0.03597600 0.36474300 0.89781400 1.0
Cd Cd60 1 0.80164500 0.00000000 0.50000000 1.0
Cd Cd61 1 0.60027300 0.20054500 0.44807300 1.0
Cd Cd62 1 0.67123400 0.03597600 0.39781400 1.0
Cd Cd63 1 0.35720700 0.08119100 0.75000000 1.0
Cd Cd64 1 0.91880900 0.27601600 0.75000000 1.0
Cd Cd65 1 0.00000000 0.80164500 0.00000000 1.0
Cd Cd66 1 0.43936300 0.56063700 0.14620400 1.0
Cd Cd67 1 0.12127500 0.56063700 0.35379600 1.0
Cd Cd68 1 0.50000000 0.00000000 0.50000000 1.0
Cd Cd69 1 0.90761200 0.81522400 0.84427700 1.0
Cd Cd70 1 0.09238800 0.18477600 0.15572300 1.0
Cd Cd71 1 0.03597600 0.67123400 0.60218600 1.0
Cd Cd72 1 0.32876600 0.36474300 0.60218600 1.0
Cd Cd73 1 0.56063700 0.12127500 0.85379600 1.0
Cd Cd74 1 0.20054500 0.60027300 0.55192700 1.0
Cd Cd75 1 0.63525700 0.67123400 0.60218600 1.0
Cd Cd76 1 0.43936300 0.56063700 0.35379600 1.0
Cd Cd77 1 0.00000000 0.00000000 0.25000000 1.0
Cd Cd78 1 0.60027300 0.20054500 0.05192700 1.0
Cd Cd79 1 0.79945500 0.39972700 0.44807300 1.0
Cd Cd80 1 0.73301100 0.46602200 0.75000000 1.0
Cd Cd81 1 0.39972700 0.79945500 0.94807300 1.0
Cd Cd82 1 0.66666700 0.33333300 0.90431600 1.0
Cd Cd83 1 0.23445900 0.46891800 0.84153200 1.0
Cd Cd84 1 0.76554100 0.23445900 0.15846800 1.0
Cd Cd85 1 0.27601600 0.35720700 0.25000000 1.0
Cd Cd86 1 0.39972700 0.60027300 0.55192700 1.0
Cd Cd87 1 0.36474300 0.03597600 0.10218600 1.0
Cd Cd88 1 0.76554100 0.23445900 0.34153200 1.0
Cd Cd89 1 0.81522400 0.90761200 0.15572300 1.0
Cd Cd90 1 0.32876600 0.96402400 0.89781400 1.0
Cd Cd91 1 0.87872500 0.43936300 0.85379600 1.0
Cd Cd92 1 0.90761200 0.81522400 0.65572300 1.0
Cd Cd93 1 0.12127500 0.56063700 0.14620400 1.0
Cd Cd94 1 0.96402400 0.32876600 0.39781400 1.0
Cd Cd95 1 0.64279300 0.72398400 0.25000000 1.0
Cd Cd96 1 0.56063700 0.43936300 0.85379600 1.0
Cd Cd97 1 0.46891800 0.23445900 0.15846800 1.0
Cd Cd98 1 0.80164500 0.80164500 0.50000000 1.0
Cd Cd99 1 0.00000000 0.00000000 0.75000000 1.0
Cd Cd100 1 0.18477600 0.09238800 0.65572300 1.0
Cd Cd101 1 0.19835500 0.19835500 0.00000000 1.0
Cd Cd102 1 0.19835500 0.00000000 0.50000000 1.0
Cd Cd103 1 0.08119100 0.35720700 0.25000000 1.0
Cd Cd104 1 0.67123400 0.63525700 0.39781400 1.0
Cd Cd105 1 0.53108200 0.76554100 0.65846800 1.0
Cd Cd106 1 0.79945500 0.39972700 0.05192700 1.0
Cd Cd107 1 0.36474300 0.32876600 0.10218600 1.0
Cd Cd108 1 0.23445900 0.76554100 0.84153200 1.0
Cd Cd109 1 0.66666700 0.33333300 0.25000000 1.0
Cd Cd110 1 0.43936300 0.87872500 0.14620400 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 0.23445900 0.76554100 0.65846800 1.0
Cd Cd114 1 0.33333300 0.66666700 0.40431600 1.0
Cd Cd115 1 0.19835500 0.00000000 0.00000000 1.0
Cd Cd116 1 0.08119100 0.72398400 0.25000000 1.0
Cd Cd117 1 0.00000000 0.80164500 0.50000000 1.0
Cd Cd118 1 0.63525700 0.96402400 0.89781400 1.0
Cd Cd119 1 0.50000000 0.50000000 0.50000000 1.0
Cd Cd120 1 0.18477600 0.09238800 0.84427700 1.0
Cd Cd121 1 0.53397800 0.26698900 0.75000000 1.0
Cd Cd122 1 0.09238800 0.90761200 0.15572300 1.0
Cd Cd123 1 0.90761200 0.09238800 0.84427700 1.0
Cd Cd124 1 0.56063700 0.43936300 0.64620400 1.0
Cd Cd125 1 0.35720700 0.27601600 0.75000000 1.0
Cd Cd126 1 0.26698900 0.73301100 0.25000000 1.0
Cd Cd127 1 0.96402400 0.63525700 0.39781400 1.0
Cd Cd128 1 0.33333300 0.66666700 0.09568400 1.0
Cd Cd129 1 0.26698900 0.53397800 0.25000000 1.0
Cd Cd130 1 0.80164500 0.00000000 0.00000000 1.0
Cd Cd131 1 0.64279300 0.91880900 0.25000000 1.0
Cd Cd132 1 0.50000000 0.00000000 0.00000000 1.0
Cd Cd133 1 0.87872500 0.43936300 0.64620400 1.0
Cd Cd134 1 0.32876600 0.96402400 0.60218600 1.0
Cd Cd135 1 0.00000000 0.50000000 0.00000000 1.0
Cd Cd136 1 0.09238800 0.18477600 0.34427700 1.0
Cd Cd137 1 0.39972700 0.60027300 0.94807300 1.0
Cd Cd138 1 0.23445900 0.46891800 0.65846800 1.0
Cd Cd139 1 0.72398400 0.64279300 0.75000000 1.0
Cd Cd140 1 0.39972700 0.79945500 0.55192700 1.0
Cd Cd141 1 0.46602200 0.73301100 0.25000000 1.0