Zn53Ni16
传统材料 TRAMP-ID: mp-581951 · 空间群: Cmce (#64)
基础信息
化学式
Zn53Ni16
MP-ID
mp-581951
元素数
2
位点数
138
密度
7.8871
g/cm³
体积
1,855.16
ų
晶胞参数 a
7.6790
Å
晶胞参数 b
7.6790
Å
晶胞参数 c
33.3270
Å
α 角
90.00
°
β 角
90.00
°
γ 角
109.26
°
空间群
Cmce
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oC
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.19320
eV/atom
能量/原子
-2.50115
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.5012
eV/atom
体积/原子
13.44
ų
c/a 比
4.3400
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
0.0334
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000020
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 · 0.768
元素家族
N/A
溶质分数
0.232
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.932
家族
Zn-based Alloy
基质元素
Zn · 0.768
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-581951
参考引用
The crystal structure and related material properties of Zn53Ni16 were obtained from the Materials Project database (MP-ID: mp-581951, 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_Zn53Ni16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67902797
_cell_length_b 7.67902797
_cell_length_c 33.32697800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.26496491
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn53Ni16
_chemical_formula_sum 'Zn106 Ni32'
_cell_volume 1855.16162243
_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
Zn Zn0 1 0.26502600 0.91357200 0.22284200 1.0
Zn Zn1 1 0.91966000 0.27526800 0.60155300 1.0
Zn Zn2 1 0.53445300 0.53445300 0.07639600 1.0
Zn Zn3 1 0.97469000 0.97469000 0.11369600 1.0
Zn Zn4 1 0.28849600 0.93078500 0.70818400 1.0
Zn Zn5 1 0.95189200 0.95189200 0.34638800 1.0
Zn Zn6 1 0.96058100 0.96058100 0.72815800 1.0
Zn Zn7 1 0.56637700 0.19473800 0.47656300 1.0
Zn Zn8 1 0.40113800 0.16058700 0.28028200 1.0
Zn Zn9 1 0.18838700 0.41210200 0.65401100 1.0
Zn Zn10 1 0.08370200 0.72755800 0.91421600 1.0
Zn Zn11 1 0.69473800 0.06637700 0.02343700 1.0
Zn Zn12 1 0.00000000 0.00000000 0.50000000 1.0
Zn Zn13 1 0.44214200 0.81287300 0.15734400 1.0
Zn Zn14 1 0.56921500 0.21150400 0.20818400 1.0
Zn Zn15 1 0.63491500 0.88544200 0.09173700 1.0
Zn Zn16 1 0.03445300 0.03445300 0.42360400 1.0
Zn Zn17 1 0.58034000 0.22473200 0.10155300 1.0
Zn Zn18 1 0.08642800 0.73497400 0.77715800 1.0
Zn Zn19 1 0.27244200 0.91629800 0.08578400 1.0
Zn Zn20 1 0.93362300 0.30526200 0.97656300 1.0
Zn Zn21 1 0.44968100 0.44968100 0.53599200 1.0
Zn Zn22 1 0.04810800 0.04810800 0.65361200 1.0
Zn Zn23 1 0.77244200 0.41629800 0.41421600 1.0
Zn Zn24 1 0.53941900 0.53941900 0.22815800 1.0
Zn Zn25 1 0.77526800 0.41966000 0.89844700 1.0
Zn Zn26 1 0.93078500 0.28849600 0.70818400 1.0
Zn Zn27 1 0.94968100 0.94968100 0.96400800 1.0
Zn Zn28 1 0.66058700 0.90113800 0.21971800 1.0
Zn Zn29 1 0.18712700 0.55785800 0.84265600 1.0
Zn Zn30 1 0.55031900 0.55031900 0.46400800 1.0
Zn Zn31 1 0.11455800 0.36508500 0.90826300 1.0
Zn Zn32 1 0.55785800 0.18712700 0.84265600 1.0
Zn Zn33 1 0.08497300 0.31843500 0.53185000 1.0
Zn Zn34 1 0.58497300 0.81843500 0.96815000 1.0
Zn Zn35 1 0.78849600 0.43078500 0.79181600 1.0
Zn Zn36 1 0.41210200 0.18838700 0.65401100 1.0
Zn Zn37 1 0.36508500 0.11455800 0.90826300 1.0
Zn Zn38 1 0.48695200 0.48695200 0.30942100 1.0
Zn Zn39 1 0.59886200 0.83941300 0.71971800 1.0
Zn Zn40 1 0.18156500 0.41502700 0.03185000 1.0
Zn Zn41 1 0.68712700 0.05785800 0.65734400 1.0
Zn Zn42 1 0.73497400 0.08642800 0.77715800 1.0
Zn Zn43 1 0.91502700 0.68156500 0.46815000 1.0
Zn Zn44 1 0.58370200 0.22755800 0.58578400 1.0
Zn Zn45 1 0.43362300 0.80526200 0.52343700 1.0
Zn Zn46 1 0.16058700 0.40113800 0.28028200 1.0
Zn Zn47 1 0.45189200 0.45189200 0.15361200 1.0
Zn Zn48 1 0.46058100 0.46058100 0.77184200 1.0
Zn Zn49 1 0.58642800 0.23497400 0.72284200 1.0
Zn Zn50 1 0.68838700 0.91210200 0.84598900 1.0
Zn Zn51 1 0.41966000 0.77526800 0.89844700 1.0
Zn Zn52 1 0.01304800 0.01304800 0.80942100 1.0
Zn Zn53 1 0.22755800 0.58370200 0.58578400 1.0
Zn Zn54 1 0.05785800 0.68712700 0.65734400 1.0
Zn Zn55 1 0.98695200 0.98695200 0.19057900 1.0
Zn Zn56 1 0.91210200 0.68838700 0.84598900 1.0
Zn Zn57 1 0.58789800 0.81161300 0.34598900 1.0
Zn Zn58 1 0.08789800 0.31161300 0.15401100 1.0
Zn Zn59 1 0.03941900 0.03941900 0.27184200 1.0
Zn Zn60 1 0.23497400 0.58642800 0.72284200 1.0
Zn Zn61 1 0.09886200 0.33941300 0.78028200 1.0
Zn Zn62 1 0.31287300 0.94214200 0.34265600 1.0
Zn Zn63 1 0.94214200 0.31287300 0.34265600 1.0
Zn Zn64 1 0.96554700 0.96554700 0.57639600 1.0
Zn Zn65 1 0.02531000 0.02531000 0.88630400 1.0
Zn Zn66 1 0.21150400 0.56921500 0.20818400 1.0
Zn Zn67 1 0.51304800 0.51304800 0.69057900 1.0
Zn Zn68 1 0.43078500 0.78849600 0.79181600 1.0
Zn Zn69 1 0.91357200 0.26502600 0.22284200 1.0
Zn Zn70 1 0.05031900 0.05031900 0.03599200 1.0
Zn Zn71 1 0.76502600 0.41357200 0.27715800 1.0
Zn Zn72 1 0.38544200 0.13491500 0.40826300 1.0
Zn Zn73 1 0.54810800 0.54810800 0.84638800 1.0
Zn Zn74 1 0.71150400 0.06921500 0.29181600 1.0
Zn Zn75 1 0.13491500 0.38544200 0.40826300 1.0
Zn Zn76 1 0.31843500 0.08497300 0.53185000 1.0
Zn Zn77 1 0.27526800 0.91966000 0.60155300 1.0
Zn Zn78 1 0.06637700 0.69473800 0.02343700 1.0
Zn Zn79 1 0.08034000 0.72473200 0.39844700 1.0
Zn Zn80 1 0.22473200 0.58034000 0.10155300 1.0
Zn Zn81 1 0.68156500 0.91502700 0.46815000 1.0
Zn Zn82 1 0.46554700 0.46554700 0.92360400 1.0
Zn Zn83 1 0.06921500 0.71150400 0.29181600 1.0
Zn Zn84 1 0.80526200 0.43362300 0.52343700 1.0
Zn Zn85 1 0.61455800 0.86508500 0.59173700 1.0
Zn Zn86 1 0.31161300 0.08789800 0.15401100 1.0
Zn Zn87 1 0.86508500 0.61455800 0.59173700 1.0
Zn Zn88 1 0.41502700 0.18156500 0.03185000 1.0
Zn Zn89 1 0.52531000 0.52531000 0.61369600 1.0
Zn Zn90 1 0.50000000 0.50000000 0.00000000 1.0
Zn Zn91 1 0.90113800 0.66058700 0.21971800 1.0
Zn Zn92 1 0.33941300 0.09886200 0.78028200 1.0
Zn Zn93 1 0.91629800 0.27244200 0.08578400 1.0
Zn Zn94 1 0.88544200 0.63491500 0.09173700 1.0
Zn Zn95 1 0.41357200 0.76502600 0.27715800 1.0
Zn Zn96 1 0.47469000 0.47469000 0.38630400 1.0
Zn Zn97 1 0.81287300 0.44214200 0.15734400 1.0
Zn Zn98 1 0.81843500 0.58497300 0.96815000 1.0
Zn Zn99 1 0.72755800 0.08370200 0.91421600 1.0
Zn Zn100 1 0.83941300 0.59886200 0.71971800 1.0
Zn Zn101 1 0.41629800 0.77244200 0.41421600 1.0
Zn Zn102 1 0.19473800 0.56637700 0.47656300 1.0
Zn Zn103 1 0.30526200 0.93362300 0.97656300 1.0
Zn Zn104 1 0.72473200 0.08034000 0.39844700 1.0
Zn Zn105 1 0.81161300 0.58789800 0.34598900 1.0
Ni Ni106 1 0.74418300 0.74418300 0.78142300 1.0
Ni Ni107 1 0.73347200 0.73347200 0.15619100 1.0
Ni Ni108 1 0.59146800 0.24100000 0.96523200 1.0
Ni Ni109 1 0.76833400 0.76833400 0.03034100 1.0
Ni Ni110 1 0.24100000 0.59146800 0.96523200 1.0
Ni Ni111 1 0.25900000 0.90853200 0.46523200 1.0
Ni Ni112 1 0.25391700 0.25391700 0.09238400 1.0
Ni Ni113 1 0.26652800 0.26652800 0.84380900 1.0
Ni Ni114 1 0.26833400 0.26833400 0.46965900 1.0
Ni Ni115 1 0.25581700 0.25581700 0.21857700 1.0
Ni Ni116 1 0.23166600 0.23166600 0.96965900 1.0
Ni Ni117 1 0.09496000 0.74135500 0.15468300 1.0
Ni Ni118 1 0.76652800 0.76652800 0.65619100 1.0
Ni Ni119 1 0.25864500 0.90504000 0.84531700 1.0
Ni Ni120 1 0.24418300 0.24418300 0.71857700 1.0
Ni Ni121 1 0.74135500 0.09496000 0.15468300 1.0
Ni Ni122 1 0.40504000 0.75864500 0.65468300 1.0
Ni Ni123 1 0.73166600 0.73166600 0.53034100 1.0
Ni Ni124 1 0.90853200 0.25900000 0.46523200 1.0
Ni Ni125 1 0.75864500 0.40504000 0.65468300 1.0
Ni Ni126 1 0.74608300 0.74608300 0.90761600 1.0
Ni Ni127 1 0.74100000 0.09146800 0.53476800 1.0
Ni Ni128 1 0.90504000 0.25864500 0.84531700 1.0
Ni Ni129 1 0.24608300 0.24608300 0.59238400 1.0
Ni Ni130 1 0.24135500 0.59496000 0.34531700 1.0
Ni Ni131 1 0.75900000 0.40853200 0.03476800 1.0
Ni Ni132 1 0.75581700 0.75581700 0.28142300 1.0
Ni Ni133 1 0.09146800 0.74100000 0.53476800 1.0
Ni Ni134 1 0.23347200 0.23347200 0.34380900 1.0
Ni Ni135 1 0.59496000 0.24135500 0.34531700 1.0
Ni Ni136 1 0.75391700 0.75391700 0.40761600 1.0
Ni Ni137 1 0.40853200 0.75900000 0.03476800 1.0