Zn
传统材料 TRAMP-ID: mp-1245184 · 空间群: P1 (#1)
基础信息
化学式
Zn
MP-ID
mp-1245184
元素数
1
位点数
100
密度
6.7793
g/cm³
体积
1,602.15
ų
晶胞参数 a
11.8115
Å
晶胞参数 b
11.7919
Å
晶胞参数 c
11.5793
Å
α 角
91.15
°
β 角
86.78
°
γ 角
95.68
°
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
0.04885
eV/atom
能量/原子
-8.86175
eV/atom
凸包距离
0.0489
eV/atom
未修正能量
-1.2109
eV/atom
体积/原子
16.02
ų
c/a 比
0.9803
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
0.750
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-1245184
参考引用
The crystal structure and related material properties of Zn were obtained from the Materials Project database (MP-ID: mp-1245184, 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 11.81147420
_cell_length_b 11.79186885
_cell_length_c 11.57929769
_cell_angle_alpha 91.15397401
_cell_angle_beta 86.78175707
_cell_angle_gamma 95.67508127
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn
_chemical_formula_sum Zn100
_cell_volume 1602.14878169
_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 0.05188577 0.58129561 0.49222684 1.0
Zn Zn1 1 0.30036210 0.15034624 0.16767983 1.0
Zn Zn2 1 0.91846287 0.15824699 0.36256864 1.0
Zn Zn3 1 0.29995586 0.74417022 0.25513061 1.0
Zn Zn4 1 0.23981036 0.21208898 0.57815626 1.0
Zn Zn5 1 0.43937297 0.88767142 0.66838169 1.0
Zn Zn6 1 0.71948910 0.94214023 0.16429739 1.0
Zn Zn7 1 0.19824124 0.19938951 0.80356488 1.0
Zn Zn8 1 0.27972026 0.28184821 0.99447287 1.0
Zn Zn9 1 0.60266726 0.81510810 0.52417696 1.0
Zn Zn10 1 0.58416173 0.41218976 0.36737797 1.0
Zn Zn11 1 0.46748445 0.29963358 0.20781110 1.0
Zn Zn12 1 0.14125128 0.65368467 0.88177904 1.0
Zn Zn13 1 0.08228451 0.07706560 0.22551148 1.0
Zn Zn14 1 0.60949016 0.21403697 0.93350361 1.0
Zn Zn15 1 0.78614354 0.72396076 0.62347138 1.0
Zn Zn16 1 0.05203335 0.28938007 0.96014460 1.0
Zn Zn17 1 0.19588343 0.99011550 0.04455069 1.0
Zn Zn18 1 0.26611756 0.96127511 0.30281820 1.0
Zn Zn19 1 0.74100495 0.54624495 0.26529405 1.0
Zn Zn20 1 0.77734440 0.26386100 0.53080744 1.0
Zn Zn21 1 0.56909902 0.63463823 0.96152652 1.0
Zn Zn22 1 0.18929839 0.47218888 0.02102375 1.0
Zn Zn23 1 0.07125810 0.79251449 0.03209296 1.0
Zn Zn24 1 0.19987159 0.81598847 0.67976238 1.0
Zn Zn25 1 0.91032316 0.37998635 0.72176782 1.0
Zn Zn26 1 0.91795599 0.20837852 0.13474169 1.0
Zn Zn27 1 0.59373704 0.74708896 0.74315942 1.0
Zn Zn28 1 0.13195837 0.43506588 0.80452254 1.0
Zn Zn29 1 0.31111881 0.41228870 0.67195019 1.0
Zn Zn30 1 0.62954170 0.58686599 0.51421897 1.0
Zn Zn31 1 0.69351410 0.16507072 0.15058272 1.0
Zn Zn32 1 0.97885149 0.10735515 0.83638359 1.0
Zn Zn33 1 0.08424068 0.91793646 0.85410729 1.0
Zn Zn34 1 0.95369339 0.37485910 0.42945079 1.0
Zn Zn35 1 0.12812145 0.46308879 0.30933246 1.0
Zn Zn36 1 0.75452897 0.60986815 0.81411371 1.0
Zn Zn37 1 0.41347921 0.46606201 0.98579742 1.0
Zn Zn38 1 0.63842081 0.72116206 0.15769705 1.0
Zn Zn39 1 0.77917907 0.31596490 0.29891305 1.0
Zn Zn40 1 0.83236641 0.29387432 0.93324622 1.0
Zn Zn41 1 0.37967839 0.79382080 0.46673915 1.0
Zn Zn42 1 0.50426854 0.38072627 0.57984704 1.0
Zn Zn43 1 0.79453202 0.58818774 0.03901780 1.0
Zn Zn44 1 0.16302234 0.78846420 0.45155622 1.0
Zn Zn45 1 0.78688435 0.06257611 0.96320500 1.0
Zn Zn46 1 0.94234241 0.44482577 0.15702376 1.0
Zn Zn47 1 0.13838753 0.24468110 0.38773610 1.0
Zn Zn48 1 0.38922569 0.10972601 0.94768229 1.0
Zn Zn49 1 0.27058920 0.58864693 0.43014349 1.0
Zn Zn50 1 0.19988751 0.59769929 0.65354122 1.0
Zn Zn51 1 0.97538949 0.61239652 0.71281839 1.0
Zn Zn52 1 0.47859901 0.83032688 0.92404891 1.0
Zn Zn53 1 0.49089962 0.00084348 0.45779387 1.0
Zn Zn54 1 0.68665694 0.37362219 0.10162109 1.0
Zn Zn55 1 0.49654231 0.63389115 0.34453613 1.0
Zn Zn56 1 0.35529624 0.16245269 0.38926953 1.0
Zn Zn57 1 0.07573338 0.82538815 0.25131673 1.0
Zn Zn58 1 0.97022309 0.00183564 0.04739280 1.0
Zn Zn59 1 0.86517427 0.78850487 0.12986932 1.0
Zn Zn60 1 0.94388160 0.62906919 0.29107053 1.0
Zn Zn61 1 0.90777185 0.75752184 0.89286251 1.0
Zn Zn62 1 0.34256945 0.38399625 0.41797736 1.0
Zn Zn63 1 0.12327976 0.62780704 0.15366861 1.0
Zn Zn64 1 0.42334533 0.61560780 0.58827953 1.0
Zn Zn65 1 0.32680863 0.52179772 0.20969970 1.0
Zn Zn66 1 0.52703269 0.85552705 0.28956749 1.0
Zn Zn67 1 0.49731519 0.07360159 0.23744945 1.0
Zn Zn68 1 0.89332696 0.94126649 0.29863623 1.0
Zn Zn69 1 0.74423618 0.76047464 0.35834940 1.0
Zn Zn70 1 0.69868656 0.83518407 0.95809461 1.0
Zn Zn71 1 0.70933819 0.44699953 0.66264133 1.0
Zn Zn72 1 0.57037813 0.02049613 0.80662553 1.0
Zn Zn73 1 0.32093263 0.68268670 0.03028374 1.0
Zn Zn74 1 0.97925640 0.18908586 0.58841230 1.0
Zn Zn75 1 0.79084222 0.93173935 0.76604132 1.0
Zn Zn76 1 0.27806423 0.98427623 0.53495377 1.0
Zn Zn77 1 0.64668602 0.42383971 0.88718789 1.0
Zn Zn78 1 0.83653701 0.54315592 0.49444457 1.0
Zn Zn79 1 0.40361780 0.11408746 0.68127083 1.0
Zn Zn80 1 0.49537075 0.52446718 0.76945577 1.0
Zn Zn81 1 0.07158073 0.00722299 0.44329636 1.0
Zn Zn82 1 0.10940427 0.38563446 0.58739620 1.0
Zn Zn83 1 0.30323950 0.92592626 0.84866250 1.0
Zn Zn84 1 0.94651782 0.77582381 0.45883484 1.0
Zn Zn85 1 0.79743777 0.16469330 0.74362970 1.0
Zn Zn86 1 0.60645229 0.23558517 0.69393606 1.0
Zn Zn87 1 0.43118802 0.30211635 0.81953957 1.0
Zn Zn88 1 0.54101919 0.51227456 0.16008322 1.0
Zn Zn89 1 0.97550569 0.84130586 0.67744635 1.0
Zn Zn90 1 0.57626465 0.21009158 0.44933294 1.0
Zn Zn91 1 0.37990255 0.89937206 0.11255310 1.0
Zn Zn92 1 0.66417316 0.03590483 0.59896131 1.0
Zn Zn93 1 0.84945640 0.95456881 0.53432812 1.0
Zn Zn94 1 0.56413452 0.01574860 0.03080031 1.0
Zn Zn95 1 0.70760072 0.04653651 0.36755795 1.0
Zn Zn96 1 0.35035655 0.69305477 0.79869136 1.0
Zn Zn97 1 0.13540358 0.29496033 0.17023417 1.0
Zn Zn98 1 0.10528926 0.03811162 0.66484396 1.0
Zn Zn99 1 0.95848548 0.50185698 0.92694461 1.0