Mg21Zn25
传统材料 TRAMP-ID: mp-570025 · 空间群: R-3c (#167)
基础信息
化学式
Mg21Zn25
MP-ID
mp-570025
元素数
2
位点数
92
密度
4.3593
g/cm³
体积
1,634.63
ų
晶胞参数 a
15.0424
Å
晶胞参数 b
15.0424
Å
晶胞参数 c
15.0424
Å
α 角
116.41
°
β 角
116.41
°
γ 角
116.41
°
空间群
R-3c
点群
-3m
晶体系统
Trigonal
Bravais 格子
hR
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.11549
eV/atom
能量/原子
-1.54448
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-1.5445
eV/atom
体积/原子
17.77
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
0.0000
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
Zn · 0.543
元素家族
N/A
溶质分数
0.457
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.851
家族
Zn-based Alloy
基质元素
Zn · 0.543
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-570025
参考引用
The crystal structure and related material properties of Mg21Zn25 were obtained from the Materials Project database (MP-ID: mp-570025, 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_Mg21Zn25
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.04242842
_cell_length_b 15.04242874
_cell_length_c 15.04242855
_cell_angle_alpha 116.40747498
_cell_angle_beta 116.40747556
_cell_angle_gamma 116.40747560
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg21Zn25
_chemical_formula_sum 'Mg42 Zn50'
_cell_volume 1634.63319926
_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
Mg Mg0 1 0.55719738 0.25000000 0.94280262 1.0
Mg Mg1 1 0.43686365 0.95494517 0.85876590 1.0
Mg Mg2 1 0.04505483 0.14123410 0.56313635 1.0
Mg Mg3 1 0.56529080 0.68133156 0.44786649 1.0
Mg Mg4 1 0.25000000 0.94280262 0.55719738 1.0
Mg Mg5 1 0.64123410 0.54505483 0.06313635 1.0
Mg Mg6 1 0.44280262 0.75000000 0.05719738 1.0
Mg Mg7 1 0.72359925 0.18382319 0.95173193 1.0
Mg Mg8 1 0.04826807 0.27640075 0.81617681 1.0
Mg Mg9 1 0.68133156 0.44786649 0.56529080 1.0
Mg Mg10 1 0.85876590 0.43686365 0.95494517 1.0
Mg Mg11 1 0.93686365 0.35876590 0.45494517 1.0
Mg Mg12 1 0.94786649 0.18133156 0.06529080 1.0
Mg Mg13 1 0.27640075 0.81617681 0.04826807 1.0
Mg Mg14 1 0.75000000 0.05719738 0.44280262 1.0
Mg Mg15 1 0.35876590 0.45494517 0.93686365 1.0
Mg Mg16 1 0.06313635 0.64123410 0.54505483 1.0
Mg Mg17 1 0.45494517 0.93686365 0.35876590 1.0
Mg Mg18 1 0.22359925 0.45173193 0.68382319 1.0
Mg Mg19 1 0.05213351 0.81866844 0.93470920 1.0
Mg Mg20 1 0.18382319 0.95173193 0.72359925 1.0
Mg Mg21 1 0.95494517 0.85876590 0.43686365 1.0
Mg Mg22 1 0.31866844 0.55213351 0.43470920 1.0
Mg Mg23 1 0.55213351 0.43470920 0.31866844 1.0
Mg Mg24 1 0.68382319 0.22359925 0.45173193 1.0
Mg Mg25 1 0.05719738 0.44280262 0.75000000 1.0
Mg Mg26 1 0.31617681 0.77640075 0.54826807 1.0
Mg Mg27 1 0.95173193 0.72359925 0.18382319 1.0
Mg Mg28 1 0.94280262 0.55719738 0.25000000 1.0
Mg Mg29 1 0.45173193 0.68382319 0.22359925 1.0
Mg Mg30 1 0.81866844 0.93470920 0.05213351 1.0
Mg Mg31 1 0.14123410 0.56313635 0.04505483 1.0
Mg Mg32 1 0.93470920 0.05213351 0.81866844 1.0
Mg Mg33 1 0.18133156 0.06529080 0.94786649 1.0
Mg Mg34 1 0.56313635 0.04505483 0.14123410 1.0
Mg Mg35 1 0.06529080 0.94786649 0.18133156 1.0
Mg Mg36 1 0.81617681 0.04826807 0.27640075 1.0
Mg Mg37 1 0.54826807 0.31617681 0.77640075 1.0
Mg Mg38 1 0.77640075 0.54826807 0.31617681 1.0
Mg Mg39 1 0.54505483 0.06313635 0.64123410 1.0
Mg Mg40 1 0.44786649 0.56529080 0.68133156 1.0
Mg Mg41 1 0.43470920 0.31866844 0.55213351 1.0
Zn Zn42 1 0.51915086 0.81091894 0.92771495 1.0
Zn Zn43 1 0.19191743 0.75000000 0.30808257 1.0
Zn Zn44 1 0.26398016 0.61925199 0.61897651 1.0
Zn Zn45 1 0.88074801 0.23601984 0.88102349 1.0
Zn Zn46 1 0.07228505 0.48084914 0.18908106 1.0
Zn Zn47 1 0.87287914 0.80859749 0.57146673 1.0
Zn Zn48 1 0.31079127 0.18920873 0.25000000 1.0
Zn Zn49 1 0.42771495 0.31091894 0.01915086 1.0
Zn Zn50 1 0.38074801 0.38102349 0.73601984 1.0
Zn Zn51 1 0.68908106 0.98084914 0.57228505 1.0
Zn Zn52 1 0.98084914 0.57228505 0.68908106 1.0
Zn Zn53 1 0.18920873 0.25000000 0.31079127 1.0
Zn Zn54 1 0.57146673 0.87287914 0.80859749 1.0
Zn Zn55 1 0.38102349 0.73601984 0.38074801 1.0
Zn Zn56 1 0.61925199 0.61897651 0.26398016 1.0
Zn Zn57 1 0.80808257 0.25000000 0.69191743 1.0
Zn Zn58 1 0.30808257 0.19191743 0.75000000 1.0
Zn Zn59 1 0.31091894 0.01915086 0.42771495 1.0
Zn Zn60 1 0.92853327 0.69140251 0.62712086 1.0
Zn Zn61 1 0.01915086 0.42771495 0.31091894 1.0
Zn Zn62 1 0.68920873 0.81079127 0.75000000 1.0
Zn Zn63 1 0.69140251 0.62712086 0.92853327 1.0
Zn Zn64 1 0.18908106 0.07228505 0.48084914 1.0
Zn Zn65 1 0.23601984 0.88102349 0.88074801 1.0
Zn Zn66 1 0.25000000 0.31079127 0.18920873 1.0
Zn Zn67 1 0.00000000 0.00000000 0.00000000 1.0
Zn Zn68 1 0.75000000 0.30808257 0.19191743 1.0
Zn Zn69 1 0.37287914 0.07146673 0.30859749 1.0
Zn Zn70 1 0.30859749 0.37287914 0.07146673 1.0
Zn Zn71 1 0.62712086 0.92853327 0.69140251 1.0
Zn Zn72 1 0.81079127 0.75000000 0.68920873 1.0
Zn Zn73 1 0.19140251 0.42853327 0.12712086 1.0
Zn Zn74 1 0.61897651 0.26398016 0.61925199 1.0
Zn Zn75 1 0.69191743 0.80808257 0.25000000 1.0
Zn Zn76 1 0.75000000 0.68920873 0.81079127 1.0
Zn Zn77 1 0.81091894 0.92771495 0.51915086 1.0
Zn Zn78 1 0.50000000 0.50000000 0.50000000 1.0
Zn Zn79 1 0.73601984 0.38074801 0.38102349 1.0
Zn Zn80 1 0.11925199 0.76398016 0.11897651 1.0
Zn Zn81 1 0.42853327 0.12712086 0.19140251 1.0
Zn Zn82 1 0.92771495 0.51915086 0.81091894 1.0
Zn Zn83 1 0.88102349 0.88074801 0.23601984 1.0
Zn Zn84 1 0.12712086 0.19140251 0.42853327 1.0
Zn Zn85 1 0.48084914 0.18908106 0.07228505 1.0
Zn Zn86 1 0.25000000 0.69191743 0.80808257 1.0
Zn Zn87 1 0.57228505 0.68908106 0.98084914 1.0
Zn Zn88 1 0.07146673 0.30859749 0.37287914 1.0
Zn Zn89 1 0.76398016 0.11897651 0.11925199 1.0
Zn Zn90 1 0.11897651 0.11925199 0.76398016 1.0
Zn Zn91 1 0.80859749 0.57146673 0.87287914 1.0