Zn
传统材料 TRAMP-ID: mp-1245266 · 空间群: P1 (#1)
基础信息
化学式
Zn
MP-ID
mp-1245266
元素数
1
位点数
100
密度
6.6907
g/cm³
体积
1,623.35
ų
晶胞参数 a
11.8652
Å
晶胞参数 b
11.7474
Å
晶胞参数 c
11.7156
Å
α 角
86.92
°
β 角
90.02
°
γ 角
84.60
°
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
0.05232
eV/atom
能量/原子
-8.85829
eV/atom
凸包距离
0.0523
eV/atom
未修正能量
-1.2074
eV/atom
体积/原子
16.23
ų
c/a 比
0.9874
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
0.748
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-1245266
参考引用
The crystal structure and related material properties of Zn were obtained from the Materials Project database (MP-ID: mp-1245266, 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 11.86516223
_cell_length_b 11.74738353
_cell_length_c 11.71559576
_cell_angle_alpha 86.91626837
_cell_angle_beta 90.02447238
_cell_angle_gamma 84.60252874
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn
_chemical_formula_sum Zn100
_cell_volume 1623.35453116
_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 0.81284892 0.71013313 0.56950355 1.0
Zn Zn1 1 0.31344562 0.18089293 0.11824312 1.0
Zn Zn2 1 0.99582068 0.32619389 0.40326979 1.0
Zn Zn3 1 0.27971561 0.53823471 0.19281273 1.0
Zn Zn4 1 0.11803436 0.16641677 0.63517646 1.0
Zn Zn5 1 0.40735032 0.89118697 0.61337431 1.0
Zn Zn6 1 0.61221355 0.92513017 0.16408710 1.0
Zn Zn7 1 0.24111963 0.15552652 0.85716673 1.0
Zn Zn8 1 0.32711979 0.39965431 0.02958658 1.0
Zn Zn9 1 0.54131400 0.80002167 0.34926529 1.0
Zn Zn10 1 0.70147656 0.20759637 0.62366982 1.0
Zn Zn11 1 0.65975153 0.29747044 0.22733315 1.0
Zn Zn12 1 0.35649574 0.63926425 0.99067908 1.0
Zn Zn13 1 0.12703979 0.18879654 0.27502634 1.0
Zn Zn14 1 0.63114596 0.14399897 0.86215827 1.0
Zn Zn15 1 0.58485734 0.72022245 0.57755667 1.0
Zn Zn16 1 0.03875286 0.27849932 0.80736183 1.0
Zn Zn17 1 0.47035921 0.05700863 0.00512703 1.0
Zn Zn18 1 0.19360738 0.00464106 0.16196353 1.0
Zn Zn19 1 0.71253466 0.63243266 0.39630090 1.0
Zn Zn20 1 0.82123773 0.22870949 0.81844318 1.0
Zn Zn21 1 0.57109641 0.59139876 0.01976378 1.0
Zn Zn22 1 0.43961673 0.35829558 0.21502741 1.0
Zn Zn23 1 0.10315593 0.85316883 0.85824526 1.0
Zn Zn24 1 0.10024155 0.76238453 0.45931722 1.0
Zn Zn25 1 0.84806014 0.43954430 0.75779303 1.0
Zn Zn26 1 0.88632460 0.25835669 0.20074021 1.0
Zn Zn27 1 0.36521575 0.67509886 0.58817357 1.0
Zn Zn28 1 0.04754713 0.50255826 0.83405505 1.0
Zn Zn29 1 0.08824167 0.39708002 0.60217299 1.0
Zn Zn30 1 0.52671284 0.50879446 0.63892175 1.0
Zn Zn31 1 0.69546563 0.13800363 0.08059457 1.0
Zn Zn32 1 0.97913976 0.05162760 0.76277712 1.0
Zn Zn33 1 0.20870019 0.80720663 0.67168717 1.0
Zn Zn34 1 0.85736154 0.47695945 0.28858837 1.0
Zn Zn35 1 0.05606323 0.39441792 0.16675216 1.0
Zn Zn36 1 0.66453696 0.57686773 0.80242908 1.0
Zn Zn37 1 0.56730365 0.34849660 0.01818018 1.0
Zn Zn38 1 0.78826270 0.66728927 0.18067488 1.0
Zn Zn39 1 0.78168384 0.26720326 0.41262378 1.0
Zn Zn40 1 0.92217053 0.33277415 0.98754344 1.0
Zn Zn41 1 0.30610162 0.84362244 0.41542777 1.0
Zn Zn42 1 0.48421751 0.28480157 0.63682378 1.0
Zn Zn43 1 0.82529616 0.88331061 0.10829260 1.0
Zn Zn44 1 0.20231991 0.76693003 0.23731603 1.0
Zn Zn45 1 0.97610469 0.04116439 0.15348190 1.0
Zn Zn46 1 0.93159446 0.57235305 0.01812793 1.0
Zn Zn47 1 0.19359569 0.39514155 0.35643813 1.0
Zn Zn48 1 0.43045060 0.25128998 0.87168457 1.0
Zn Zn49 1 0.26147194 0.60263084 0.40572153 1.0
Zn Zn50 1 0.09587782 0.61243758 0.63489411 1.0
Zn Zn51 1 0.87723210 0.64835868 0.78825485 1.0
Zn Zn52 1 0.46133740 0.72286746 0.79385830 1.0
Zn Zn53 1 0.46603928 0.00197067 0.41317014 1.0
Zn Zn54 1 0.62514640 0.41800475 0.45736193 1.0
Zn Zn55 1 0.48614410 0.59968689 0.41126401 1.0
Zn Zn56 1 0.34174234 0.19951899 0.34341820 1.0
Zn Zn57 1 0.25043458 0.83907838 0.02872558 1.0
Zn Zn58 1 0.08771684 0.05927301 0.96290435 1.0
Zn Zn59 1 0.96843285 0.80754460 0.27302530 1.0
Zn Zn60 1 0.04835058 0.60391080 0.21742582 1.0
Zn Zn61 1 0.88876308 0.84682757 0.88169767 1.0
Zn Zn62 1 0.28045255 0.26760401 0.55075468 1.0
Zn Zn63 1 0.03559595 0.78727471 0.06174239 1.0
Zn Zn64 1 0.30207349 0.47070519 0.62438038 1.0
Zn Zn65 1 0.40546479 0.39988137 0.43051210 1.0
Zn Zn66 1 0.39566155 0.91840113 0.20187211 1.0
Zn Zn67 1 0.51530002 0.12826370 0.21631098 1.0
Zn Zn68 1 0.79786615 0.06996686 0.27821950 1.0
Zn Zn69 1 0.75045914 0.84198606 0.32837071 1.0
Zn Zn70 1 0.73845107 0.70486097 0.96633933 1.0
Zn Zn71 1 0.63369763 0.36005761 0.78619312 1.0
Zn Zn72 1 0.51039649 0.94920957 0.80780391 1.0
Zn Zn73 1 0.44030151 0.68419974 0.19163210 1.0
Zn Zn74 1 0.90476174 0.27633825 0.61089031 1.0
Zn Zn75 1 0.68497722 0.80017839 0.74783291 1.0
Zn Zn76 1 0.25121032 0.05635736 0.48411143 1.0
Zn Zn77 1 0.75560530 0.45046316 0.07089904 1.0
Zn Zn78 1 0.82741844 0.48349538 0.53161373 1.0
Zn Zn79 1 0.36579674 0.10480712 0.69135045 1.0
Zn Zn80 1 0.45098794 0.48670716 0.85481726 1.0
Zn Zn81 1 0.08555413 0.97440028 0.35190156 1.0
Zn Zn82 1 0.01499662 0.56232931 0.43640456 1.0
Zn Zn83 1 0.29497070 0.93583003 0.83114397 1.0
Zn Zn84 1 0.90243528 0.89085922 0.47003161 1.0
Zn Zn85 1 0.86453780 0.05856634 0.95759091 1.0
Zn Zn86 1 0.78178470 0.99189787 0.69780311 1.0
Zn Zn87 1 0.24293584 0.38496076 0.82126120 1.0
Zn Zn88 1 0.61182051 0.52240218 0.23535501 1.0
Zn Zn89 1 0.97094473 0.80954114 0.67589007 1.0
Zn Zn90 1 0.56110563 0.20380665 0.42428436 1.0
Zn Zn91 1 0.48086629 0.82431908 0.00050516 1.0
Zn Zn92 1 0.56545813 0.03978518 0.61502714 1.0
Zn Zn93 1 0.94059838 0.11363009 0.46167090 1.0
Zn Zn94 1 0.67988247 0.92935658 0.94106908 1.0
Zn Zn95 1 0.71579937 0.02063835 0.47010376 1.0
Zn Zn96 1 0.25042447 0.61614165 0.79873920 1.0
Zn Zn97 1 0.14199515 0.28331949 0.00662462 1.0
Zn Zn98 1 0.07637531 0.96949246 0.57769662 1.0
Zn Zn99 1 0.15013052 0.58242194 0.00459778 1.0