Ce13Zn58
传统材料 TRAMP-ID: mp-568360 · 空间群: P6_3/mmc (#194)
基础信息
化学式
Ce13Zn58
MP-ID
mp-568360
元素数
2
位点数
142
密度
7.2513
g/cm³
体积
2,571.76
ų
晶胞参数 a
14.5603
Å
晶胞参数 b
14.5603
Å
晶胞参数 c
14.0075
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
-0.27604
eV/atom
能量/原子
-2.39217
eV/atom
凸包距离
0.0006
eV/atom
未修正能量
-2.3922
eV/atom
体积/原子
18.11
ų
c/a 比
0.9620
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
Yes
总磁矩
13.2610
μB
磁有序
FiM
磁性位点数
26
磁化强度/体积
0.005160
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
Zn · 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
0.883
家族
Zn-based Alloy
基质元素
Zn · 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-568360
参考引用
The crystal structure and related material properties of Ce13Zn58 were obtained from the Materials Project database (MP-ID: mp-568360, 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_Ce13Zn58
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.56028337
_cell_length_b 14.56028348
_cell_length_c 14.00747863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999972
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce13Zn58
_chemical_formula_sum 'Ce26 Zn116'
_cell_volume 2571.75894699
_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
Ce Ce0 1 0.79489066 0.58978133 0.94865034 1.0
Ce Ce1 1 0.41021867 0.20510934 0.55134966 1.0
Ce Ce2 1 0.08258815 0.54129408 0.75000000 1.0
Ce Ce3 1 0.20510934 0.79489066 0.44865034 1.0
Ce Ce4 1 0.20510934 0.41021867 0.44865034 1.0
Ce Ce5 1 0.87257003 0.12742997 0.25000000 1.0
Ce Ce6 1 0.20510934 0.79489066 0.05134966 1.0
Ce Ce7 1 0.54129408 0.45870592 0.25000000 1.0
Ce Ce8 1 0.12742997 0.87257003 0.75000000 1.0
Ce Ce9 1 0.12742997 0.25485994 0.75000000 1.0
Ce Ce10 1 0.41021867 0.20510934 0.94865034 1.0
Ce Ce11 1 0.79489066 0.58978133 0.55134966 1.0
Ce Ce12 1 0.87257003 0.74514006 0.25000000 1.0
Ce Ce13 1 0.79489066 0.20510934 0.55134966 1.0
Ce Ce14 1 0.58978133 0.79489066 0.05134966 1.0
Ce Ce15 1 0.91741185 0.45870592 0.25000000 1.0
Ce Ce16 1 0.25485994 0.12742997 0.25000000 1.0
Ce Ce17 1 0.00000000 0.00000000 0.50000000 1.0
Ce Ce18 1 0.45870592 0.91741185 0.75000000 1.0
Ce Ce19 1 0.20510934 0.41021867 0.05134966 1.0
Ce Ce20 1 0.74514006 0.87257003 0.75000000 1.0
Ce Ce21 1 0.54129408 0.08258815 0.25000000 1.0
Ce Ce22 1 0.45870592 0.54129408 0.75000000 1.0
Ce Ce23 1 0.00000000 0.00000000 0.00000000 1.0
Ce Ce24 1 0.58978133 0.79489066 0.44865034 1.0
Ce Ce25 1 0.79489066 0.20510934 0.94865034 1.0
Zn Zn26 1 0.47406084 0.23703042 0.15785437 1.0
Zn Zn27 1 0.96499750 0.63441982 0.39738714 1.0
Zn Zn28 1 0.20148178 0.00000000 0.00000000 1.0
Zn Zn29 1 0.73085821 0.46171642 0.75000000 1.0
Zn Zn30 1 0.33333300 0.66666700 0.09734421 1.0
Zn Zn31 1 0.90532753 0.09467247 0.84373860 1.0
Zn Zn32 1 0.71885460 0.63446916 0.75000000 1.0
Zn Zn33 1 0.03500250 0.36558018 0.89738714 1.0
Zn Zn34 1 0.76296958 0.23703042 0.34214563 1.0
Zn Zn35 1 0.36553084 0.28114540 0.75000000 1.0
Zn Zn36 1 0.12872674 0.56436337 0.14283429 1.0
Zn Zn37 1 0.90532753 0.81065506 0.84373860 1.0
Zn Zn38 1 0.66942232 0.63441982 0.39738714 1.0
Zn Zn39 1 0.96499750 0.33057768 0.39738714 1.0
Zn Zn40 1 0.03500250 0.66942232 0.60261286 1.0
Zn Zn41 1 0.66666700 0.33333300 0.59734421 1.0
Zn Zn42 1 0.00000000 0.50000000 0.50000000 1.0
Zn Zn43 1 0.63441982 0.66942232 0.60261286 1.0
Zn Zn44 1 0.00000000 0.79851822 0.50000000 1.0
Zn Zn45 1 0.39832092 0.79664184 0.94893434 1.0
Zn Zn46 1 0.56436337 0.43563663 0.85716571 1.0
Zn Zn47 1 0.91561455 0.63446916 0.75000000 1.0
Zn Zn48 1 0.09467247 0.18934494 0.34373860 1.0
Zn Zn49 1 0.20148178 0.20148178 0.00000000 1.0
Zn Zn50 1 0.63446916 0.71885460 0.25000000 1.0
Zn Zn51 1 0.26914179 0.73085821 0.25000000 1.0
Zn Zn52 1 0.00000000 0.79851822 0.00000000 1.0
Zn Zn53 1 1.00000000 0.20148178 0.00000000 1.0
Zn Zn54 1 1.00000000 0.20148178 0.50000000 1.0
Zn Zn55 1 0.63441982 0.96499750 0.60261286 1.0
Zn Zn56 1 0.79851822 0.79851822 0.00000000 1.0
Zn Zn57 1 0.66942232 0.03500250 0.10261286 1.0
Zn Zn58 1 0.50000000 0.00000000 0.50000000 1.0
Zn Zn59 1 0.23703042 0.47406084 0.65785437 1.0
Zn Zn60 1 0.33333300 0.66666700 0.75000000 1.0
Zn Zn61 1 0.09467247 0.18934494 0.15626140 1.0
Zn Zn62 1 0.12872674 0.56436337 0.35716571 1.0
Zn Zn63 1 0.23703042 0.47406084 0.84214563 1.0
Zn Zn64 1 0.39832092 0.79664184 0.55106566 1.0
Zn Zn65 1 0.79851822 0.79851822 0.50000000 1.0
Zn Zn66 1 0.46171642 0.73085821 0.25000000 1.0
Zn Zn67 1 0.36558018 0.03500250 0.39738714 1.0
Zn Zn68 1 0.43563663 0.87127326 0.35716571 1.0
Zn Zn69 1 0.71885460 0.08438545 0.75000000 1.0
Zn Zn70 1 0.09467247 0.90532753 0.15626140 1.0
Zn Zn71 1 0.09467247 0.90532753 0.34373860 1.0
Zn Zn72 1 0.63441982 0.66942232 0.89738714 1.0
Zn Zn73 1 0.20148178 0.20148178 0.50000000 1.0
Zn Zn74 1 0.50000000 0.50000000 0.00000000 1.0
Zn Zn75 1 0.43563663 0.56436337 0.35716571 1.0
Zn Zn76 1 0.66666700 0.33333300 0.90265579 1.0
Zn Zn77 1 0.60167908 0.39832092 0.05106566 1.0
Zn Zn78 1 0.90532753 0.81065506 0.65626140 1.0
Zn Zn79 1 0.03500250 0.36558018 0.60261286 1.0
Zn Zn80 1 0.73085821 0.26914179 0.75000000 1.0
Zn Zn81 1 0.90532753 0.09467247 0.65626140 1.0
Zn Zn82 1 0.96499750 0.63441982 0.10261286 1.0
Zn Zn83 1 0.08438545 0.36553084 0.25000000 1.0
Zn Zn84 1 0.60167908 0.20335816 0.44893434 1.0
Zn Zn85 1 0.20335816 0.60167908 0.94893434 1.0
Zn Zn86 1 0.76296958 0.52593916 0.15785437 1.0
Zn Zn87 1 0.56436337 0.43563663 0.64283429 1.0
Zn Zn88 1 0.79851822 0.00000000 0.50000000 1.0
Zn Zn89 1 0.96499750 0.33057768 0.10261286 1.0
Zn Zn90 1 0.50000000 0.00000000 0.00000000 1.0
Zn Zn91 1 0.36558018 0.33057768 0.39738714 1.0
Zn Zn92 1 0.66942232 0.63441982 0.10261286 1.0
Zn Zn93 1 0.33333300 0.66666700 0.40265579 1.0
Zn Zn94 1 0.00000000 0.00000000 0.25000000 1.0
Zn Zn95 1 0.76296958 0.52593916 0.34214563 1.0
Zn Zn96 1 0.81065506 0.90532753 0.15626140 1.0
Zn Zn97 1 0.91561455 0.28114540 0.75000000 1.0
Zn Zn98 1 0.56436337 0.12872674 0.64283429 1.0
Zn Zn99 1 0.33057768 0.96499750 0.89738714 1.0
Zn Zn100 1 0.43563663 0.56436337 0.14283429 1.0
Zn Zn101 1 0.03500250 0.66942232 0.89738714 1.0
Zn Zn102 1 0.66942232 0.03500250 0.39738714 1.0
Zn Zn103 1 0.60167908 0.39832092 0.44893434 1.0
Zn Zn104 1 0.79664184 0.39832092 0.44893434 1.0
Zn Zn105 1 0.87127326 0.43563663 0.85716571 1.0
Zn Zn106 1 0.36553084 0.08438545 0.75000000 1.0
Zn Zn107 1 0.33057768 0.36558018 0.89738714 1.0
Zn Zn108 1 0.23703042 0.76296958 0.65785437 1.0
Zn Zn109 1 0.08438545 0.71885460 0.25000000 1.0
Zn Zn110 1 0.52593916 0.76296958 0.84214563 1.0
Zn Zn111 1 0.18934494 0.09467247 0.84373860 1.0
Zn Zn112 1 0.81065506 0.90532753 0.34373860 1.0
Zn Zn113 1 0.66666700 0.33333300 0.25000000 1.0
Zn Zn114 1 0.39832092 0.60167908 0.94893434 1.0
Zn Zn115 1 0.00000000 0.00000000 0.75000000 1.0
Zn Zn116 1 0.20335816 0.60167908 0.55106566 1.0
Zn Zn117 1 0.39832092 0.60167908 0.55106566 1.0
Zn Zn118 1 0.18934494 0.09467247 0.65626140 1.0
Zn Zn119 1 0.52593916 0.76296958 0.65785437 1.0
Zn Zn120 1 0.76296958 0.23703042 0.15785437 1.0
Zn Zn121 1 0.50000000 0.50000000 0.50000000 1.0
Zn Zn122 1 0.79664184 0.39832092 0.05106566 1.0
Zn Zn123 1 0.23703042 0.76296958 0.84214563 1.0
Zn Zn124 1 0.63446916 0.91561455 0.25000000 1.0
Zn Zn125 1 0.33057768 0.36558018 0.60261286 1.0
Zn Zn126 1 0.60167908 0.20335816 0.05106566 1.0
Zn Zn127 1 0.87127326 0.43563663 0.64283429 1.0
Zn Zn128 1 0.20148178 0.00000000 0.50000000 1.0
Zn Zn129 1 0.36558018 0.03500250 0.10261286 1.0
Zn Zn130 1 0.33057768 0.96499750 0.60261286 1.0
Zn Zn131 1 0.56436337 0.12872674 0.85716571 1.0
Zn Zn132 1 0.28114540 0.91561455 0.25000000 1.0
Zn Zn133 1 0.28114540 0.36553084 0.25000000 1.0
Zn Zn134 1 0.00000000 0.50000000 0.00000000 1.0
Zn Zn135 1 0.47406084 0.23703042 0.34214563 1.0
Zn Zn136 1 0.63441982 0.96499750 0.89738714 1.0
Zn Zn137 1 0.79851822 0.00000000 0.00000000 1.0
Zn Zn138 1 0.36558018 0.33057768 0.10261286 1.0
Zn Zn139 1 0.26914179 0.53828358 0.25000000 1.0
Zn Zn140 1 0.43563663 0.87127326 0.14283429 1.0
Zn Zn141 1 0.53828358 0.26914179 0.75000000 1.0