Zn
传统材料 TRAMP-ID: mp-1245093 · 空间群: P1 (#1)
基础信息
化学式
Zn
MP-ID
mp-1245093
元素数
1
位点数
100
密度
6.7257
g/cm³
体积
1,614.92
ų
晶胞参数 a
11.7532
Å
晶胞参数 b
11.7752
Å
晶胞参数 c
11.7533
Å
α 角
94.30
°
β 角
87.13
°
γ 角
94.74
°
空间群
P1
点群
1
晶体系统
Triclinic
Bravais 格子
aP
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.05507
eV/atom
能量/原子
-8.85553
eV/atom
凸包距离
0.0551
eV/atom
未修正能量
-1.2047
eV/atom
体积/原子
16.15
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 · 1.000
元素家族
N/A
溶质分数
0.000
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.746
家族
Pure Metal
基质元素
Zn · 1.000
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-1245093
参考引用
The crystal structure and related material properties of Zn were obtained from the Materials Project database (MP-ID: mp-1245093, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.75322960
_cell_length_b 11.77519097
_cell_length_c 11.75334136
_cell_angle_alpha 94.29696365
_cell_angle_beta 87.13302335
_cell_angle_gamma 94.74393575
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn
_chemical_formula_sum Zn100
_cell_volume 1614.92028409
_cell_formula_units_Z 100
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 0.91297883 0.67880817 0.57163803 1.0
Zn Zn1 1 0.30180527 0.13135976 0.12077695 1.0
Zn Zn2 1 0.98340332 0.30185474 0.33855445 1.0
Zn Zn3 1 0.26642330 0.51187345 0.20683342 1.0
Zn Zn4 1 0.09546118 0.16022850 0.43471292 1.0
Zn Zn5 1 0.38375333 0.85797823 0.64115451 1.0
Zn Zn6 1 0.58087150 0.94505982 0.17629680 1.0
Zn Zn7 1 0.19362376 0.13517861 0.81118836 1.0
Zn Zn8 1 0.34768530 0.42774109 0.98678032 1.0
Zn Zn9 1 0.55825173 0.75547444 0.37434419 1.0
Zn Zn10 1 0.71998268 0.22998573 0.60292071 1.0
Zn Zn11 1 0.66022093 0.32259732 0.20357149 1.0
Zn Zn12 1 0.28420504 0.64984168 0.00552513 1.0
Zn Zn13 1 0.09642618 0.09744053 0.20896073 1.0
Zn Zn14 1 0.63137769 0.19775400 0.86246157 1.0
Zn Zn15 1 0.68685094 0.73492460 0.54420216 1.0
Zn Zn16 1 0.15053395 0.33060287 0.92082427 1.0
Zn Zn17 1 0.47963499 0.05395696 0.01841023 1.0
Zn Zn18 1 0.25552822 0.96107555 0.27198658 1.0
Zn Zn19 1 0.74858948 0.66661020 0.33357897 1.0
Zn Zn20 1 0.85939513 0.30925132 0.76712839 1.0
Zn Zn21 1 0.59885673 0.55212572 0.95575799 1.0
Zn Zn22 1 0.40730154 0.34970735 0.22141220 1.0
Zn Zn23 1 0.08230475 0.91293113 0.95400560 1.0
Zn Zn24 1 0.13165735 0.79522598 0.55492914 1.0
Zn Zn25 1 0.86612679 0.54051045 0.75488014 1.0
Zn Zn26 1 0.88866112 0.26206145 0.14513440 1.0
Zn Zn27 1 0.46057123 0.65979614 0.59734953 1.0
Zn Zn28 1 0.05323120 0.56535403 0.87018206 1.0
Zn Zn29 1 0.08611336 0.38551161 0.70994851 1.0
Zn Zn30 1 0.55993744 0.46835554 0.58745442 1.0
Zn Zn31 1 0.69173783 0.13231764 0.10261347 1.0
Zn Zn32 1 0.98358782 0.13096390 0.76450469 1.0
Zn Zn33 1 0.19437500 0.81125438 0.77228241 1.0
Zn Zn34 1 0.84229965 0.46276490 0.30468856 1.0
Zn Zn35 1 0.06301554 0.50657452 0.29111052 1.0
Zn Zn36 1 0.65952117 0.62655061 0.72982157 1.0
Zn Zn37 1 0.51850159 0.31488802 0.02986234 1.0
Zn Zn38 1 0.63843650 0.73714205 0.12620263 1.0
Zn Zn39 1 0.75275649 0.25288378 0.38247567 1.0
Zn Zn40 1 0.94436087 0.37824747 0.95967268 1.0
Zn Zn41 1 0.34658094 0.75867643 0.43841027 1.0
Zn Zn42 1 0.50872575 0.26736474 0.68120388 1.0
Zn Zn43 1 0.87476675 0.79937856 0.05317257 1.0
Zn Zn44 1 0.15236014 0.74267842 0.31071271 1.0
Zn Zn45 1 0.89216804 0.02266857 0.09580779 1.0
Zn Zn46 1 0.85583046 0.58201243 0.00837540 1.0
Zn Zn47 1 0.21845338 0.36030895 0.37721339 1.0
Zn Zn48 1 0.40399186 0.19166108 0.87786306 1.0
Zn Zn49 1 0.19898528 0.58645723 0.44575675 1.0
Zn Zn50 1 0.12344705 0.61198082 0.65989217 1.0
Zn Zn51 1 0.97021300 0.74936236 0.80626147 1.0
Zn Zn52 1 0.40180643 0.73526356 0.81436470 1.0
Zn Zn53 1 0.46960651 0.96412571 0.37364000 1.0
Zn Zn54 1 0.62825064 0.46023536 0.38143907 1.0
Zn Zn55 1 0.42453746 0.55097420 0.36480909 1.0
Zn Zn56 1 0.32623662 0.15657048 0.36461689 1.0
Zn Zn57 1 0.25153490 0.85998810 0.07595990 1.0
Zn Zn58 1 0.06462224 0.13693528 0.99598953 1.0
Zn Zn59 1 0.02160271 0.87811647 0.20900075 1.0
Zn Zn60 1 0.94162816 0.65935524 0.22843985 1.0
Zn Zn61 1 0.87899837 0.93617599 0.87463721 1.0
Zn Zn62 1 0.24779176 0.23977307 0.57253864 1.0
Zn Zn63 1 0.07436512 0.71374167 0.04849268 1.0
Zn Zn64 1 0.30362663 0.47097156 0.58506087 1.0
Zn Zn65 1 0.43798139 0.34019345 0.44941433 1.0
Zn Zn66 1 0.39491517 0.79446433 0.21894339 1.0
Zn Zn67 1 0.51271458 0.15269710 0.24091195 1.0
Zn Zn68 1 0.89891182 0.07827114 0.32008910 1.0
Zn Zn69 1 0.77689444 0.87898837 0.24185604 1.0
Zn Zn70 1 0.72271387 0.73981061 0.91264896 1.0
Zn Zn71 1 0.67188945 0.40941015 0.76886872 1.0
Zn Zn72 1 0.50454302 0.97040897 0.79984979 1.0
Zn Zn73 1 0.45269850 0.59621918 0.12588852 1.0
Zn Zn74 1 0.94533246 0.27769284 0.56208143 1.0
Zn Zn75 1 0.67838223 0.84602000 0.74141336 1.0
Zn Zn76 1 0.28117368 0.97146629 0.49258830 1.0
Zn Zn77 1 0.73193882 0.38493045 0.99187234 1.0
Zn Zn78 1 0.77891127 0.49156981 0.54020259 1.0
Zn Zn79 1 0.37345734 0.08129996 0.66806563 1.0
Zn Zn80 1 0.46649009 0.50218898 0.78906737 1.0
Zn Zn81 1 0.06431354 0.93894843 0.42055636 1.0
Zn Zn82 1 0.00060045 0.48099214 0.51063023 1.0
Zn Zn83 1 0.29527982 0.98202456 0.90196636 1.0
Zn Zn84 1 0.86289867 0.84069643 0.43663896 1.0
Zn Zn85 1 0.83857736 0.16366860 0.93449617 1.0
Zn Zn86 1 0.75841503 0.06020597 0.73364944 1.0
Zn Zn87 1 0.30810507 0.33585295 0.76250351 1.0
Zn Zn88 1 0.65094869 0.52979461 0.17278455 1.0
Zn Zn89 1 0.91769572 0.88937459 0.65613052 1.0
Zn Zn90 1 0.54157733 0.16108563 0.48225031 1.0
Zn Zn91 1 0.47872741 0.81449270 0.00298376 1.0
Zn Zn92 1 0.59964193 0.96201159 0.58284401 1.0
Zn Zn93 1 0.88809853 0.06000021 0.54137080 1.0
Zn Zn94 1 0.66977638 0.96191193 0.94818686 1.0
Zn Zn95 1 0.69122165 0.02417931 0.39089710 1.0
Zn Zn96 1 0.26153629 0.55055930 0.80291332 1.0
Zn Zn97 1 0.15584876 0.30570198 0.14833696 1.0
Zn Zn98 1 0.12007333 0.03738188 0.62367565 1.0
Zn Zn99 1 0.09761699 0.50101606 0.07058294 1.0