Zn
传统材料 TRAMP-ID: mp-1244987 · 空间群: P1 (#1)
基础信息
化学式
Zn
MP-ID
mp-1244987
元素数
1
位点数
100
密度
6.7335
g/cm³
体积
1,613.04
ų
晶胞参数 a
11.7150
Å
晶胞参数 b
11.8269
Å
晶胞参数 c
11.7182
Å
α 角
94.84
°
β 角
93.07
°
γ 角
86.62
°
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
0.05837
eV/atom
能量/原子
-8.85223
eV/atom
凸包距离
0.0584
eV/atom
未修正能量
-1.2014
eV/atom
体积/原子
16.13
ų
c/a 比
1.0003
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
0.744
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-1244987
参考引用
The crystal structure and related material properties of Zn were obtained from the Materials Project database (MP-ID: mp-1244987, 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 11.71499034
_cell_length_b 11.82686821
_cell_length_c 11.71820401
_cell_angle_alpha 94.83704608
_cell_angle_beta 93.07304338
_cell_angle_gamma 86.61702080
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn
_chemical_formula_sum Zn100
_cell_volume 1613.04359491
_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 0.94828505 0.64691382 0.59430312 1.0
Zn Zn1 1 0.29127390 0.10875728 0.10026425 1.0
Zn Zn2 1 0.96441145 0.21773521 0.40793514 1.0
Zn Zn3 1 0.26946624 0.62516613 0.24073374 1.0
Zn Zn4 1 0.22515427 0.12973642 0.45322361 1.0
Zn Zn5 1 0.43361617 0.87898816 0.64580411 1.0
Zn Zn6 1 0.62423240 0.90121675 0.13737925 1.0
Zn Zn7 1 0.17105049 0.19099301 0.81274440 1.0
Zn Zn8 1 0.27093690 0.30537844 0.99850840 1.0
Zn Zn9 1 0.54120520 0.75588208 0.46692930 1.0
Zn Zn10 1 0.67231985 0.32108430 0.52119081 1.0
Zn Zn11 1 0.53290318 0.30486669 0.20149770 1.0
Zn Zn12 1 0.21298177 0.73014148 0.93081224 1.0
Zn Zn13 1 0.10538581 0.10077827 0.23630872 1.0
Zn Zn14 1 0.62998740 0.22264384 0.86704282 1.0
Zn Zn15 1 0.74551975 0.72905158 0.55501388 1.0
Zn Zn16 1 0.04673688 0.34678675 0.92026470 1.0
Zn Zn17 1 0.44173794 0.95300875 0.00791504 1.0
Zn Zn18 1 0.29916135 0.99384385 0.28581582 1.0
Zn Zn19 1 0.68870326 0.62986399 0.32902142 1.0
Zn Zn20 1 0.87724519 0.30949368 0.60871552 1.0
Zn Zn21 1 0.56300427 0.59059496 0.94282108 1.0
Zn Zn22 1 0.32764550 0.40573296 0.21764449 1.0
Zn Zn23 1 0.04897480 0.89093097 0.96606233 1.0
Zn Zn24 1 0.08074918 0.79499931 0.52203077 1.0
Zn Zn25 1 0.91802340 0.48849143 0.76516779 1.0
Zn Zn26 1 0.90613127 0.20689405 0.18424895 1.0
Zn Zn27 1 0.52283695 0.68175450 0.70957401 1.0
Zn Zn28 1 0.08002115 0.56202523 0.90018181 1.0
Zn Zn29 1 0.14264134 0.41215110 0.73070817 1.0
Zn Zn30 1 0.59785238 0.54073339 0.54647122 1.0
Zn Zn31 1 0.70141439 0.20054932 0.08249650 1.0
Zn Zn32 1 0.93666942 0.07821645 0.82076216 1.0
Zn Zn33 1 0.19146599 0.82028290 0.72737593 1.0
Zn Zn34 1 0.89594925 0.40980431 0.29835230 1.0
Zn Zn35 1 0.07537014 0.53662968 0.28897273 1.0
Zn Zn36 1 0.74499682 0.63925174 0.76906338 1.0
Zn Zn37 1 0.48294389 0.36349691 0.98737815 1.0
Zn Zn38 1 0.69121324 0.68612123 0.11277369 1.0
Zn Zn39 1 0.72720070 0.20646461 0.32392272 1.0
Zn Zn40 1 0.89031363 0.38085993 0.06877429 1.0
Zn Zn41 1 0.30914411 0.71832271 0.48917679 1.0
Zn Zn42 1 0.51430791 0.26580642 0.65837866 1.0
Zn Zn43 1 0.86801508 0.67795227 0.97290753 1.0
Zn Zn44 1 0.15096367 0.80423583 0.30985295 1.0
Zn Zn45 1 0.86891273 0.02958047 0.04871311 1.0
Zn Zn46 1 0.89055107 0.58925266 0.16459355 1.0
Zn Zn47 1 0.15315973 0.32150594 0.35951803 1.0
Zn Zn48 1 0.42861382 0.14669333 0.91932721 1.0
Zn Zn49 1 0.24528662 0.50890134 0.43186316 1.0
Zn Zn50 1 0.16733915 0.61037630 0.63575008 1.0
Zn Zn51 1 0.99224732 0.72970745 0.80027098 1.0
Zn Zn52 1 0.39372552 0.80099703 0.84411941 1.0
Zn Zn53 1 0.45929219 0.96009519 0.43402326 1.0
Zn Zn54 1 0.67118534 0.42033348 0.33182494 1.0
Zn Zn55 1 0.46303736 0.57759207 0.34343151 1.0
Zn Zn56 1 0.36304780 0.20814523 0.30933496 1.0
Zn Zn57 1 0.23335913 0.87477861 0.10839545 1.0
Zn Zn58 1 0.08090335 0.10990291 0.00027407 1.0
Zn Zn59 1 0.94200580 0.85006854 0.16541152 1.0
Zn Zn60 1 0.93020722 0.69101008 0.37261370 1.0
Zn Zn61 1 0.83489359 0.87867501 0.88315969 1.0
Zn Zn62 1 0.29546824 0.31447917 0.56083684 1.0
Zn Zn63 1 0.08639742 0.69443896 0.10579079 1.0
Zn Zn64 1 0.38372837 0.53356310 0.59946364 1.0
Zn Zn65 1 0.45880725 0.37728263 0.43305586 1.0
Zn Zn66 1 0.40884105 0.79596332 0.27575461 1.0
Zn Zn67 1 0.51706594 0.09304788 0.17756898 1.0
Zn Zn68 1 0.86632127 0.02586863 0.28641848 1.0
Zn Zn69 1 0.76057680 0.81785635 0.28678709 1.0
Zn Zn70 1 0.63335801 0.79110547 0.92895283 1.0
Zn Zn71 1 0.71529290 0.41448196 0.72969439 1.0
Zn Zn72 1 0.54433883 0.05508602 0.73587813 1.0
Zn Zn73 1 0.35683647 0.55307600 0.03585577 1.0
Zn Zn74 1 0.08947688 0.23015931 0.60372697 1.0
Zn Zn75 1 0.66290133 0.86314884 0.73387085 1.0
Zn Zn76 1 0.25332075 0.92892998 0.51854246 1.0
Zn Zn77 1 0.69679103 0.41287823 0.97049734 1.0
Zn Zn78 1 0.81289046 0.50041426 0.49366057 1.0
Zn Zn79 1 0.33824119 0.10416999 0.66229043 1.0
Zn Zn80 1 0.50933907 0.46207422 0.77083688 1.0
Zn Zn81 1 0.05541124 0.98960153 0.41166882 1.0
Zn Zn82 1 0.03411737 0.44392887 0.51930877 1.0
Zn Zn83 1 0.25424581 0.99118463 0.87226594 1.0
Zn Zn84 1 0.86579081 0.89718735 0.46448867 1.0
Zn Zn85 1 0.84728947 0.27964266 0.85383703 1.0
Zn Zn86 1 0.72943162 0.15253855 0.67660768 1.0
Zn Zn87 1 0.34749105 0.32165793 0.79101897 1.0
Zn Zn88 1 0.57652188 0.51139567 0.14948244 1.0
Zn Zn89 1 0.90385811 0.89134441 0.67985463 1.0
Zn Zn90 1 0.53832038 0.16079930 0.45987796 1.0
Zn Zn91 1 0.44877519 0.74783445 0.06582295 1.0
Zn Zn92 1 0.66074214 0.95596889 0.54861969 1.0
Zn Zn93 1 0.91359842 0.08660290 0.57892893 1.0
Zn Zn94 1 0.65617240 0.01591528 0.94328708 1.0
Zn Zn95 1 0.65215377 0.00798572 0.33947529 1.0
Zn Zn96 1 0.30766535 0.56057047 0.81151382 1.0
Zn Zn97 1 0.10179734 0.29639034 0.14313975 1.0
Zn Zn98 1 0.11213416 0.01859799 0.67660793 1.0
Zn Zn99 1 0.15673558 0.48599443 0.08263275 1.0