Na5Si51
传统材料 TRAMP-ID: mp-1220932 · 空间群: C2/m (#12)
基础信息
化学式
Na5Si51
MP-ID
mp-1220932
元素数
2
位点数
112
密度
2.1367
g/cm³
体积
2,405.02
ų
晶胞参数 a
10.4150
Å
晶胞参数 b
10.4203
Å
晶胞参数 c
25.5844
Å
α 角
90.02
°
β 角
90.00
°
γ 角
119.98
°
空间群
C2/m
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mC
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.07595
eV/atom
能量/原子
-8.23267
eV/atom
凸包距离
0.0883
eV/atom
未修正能量
-5.0353
eV/atom
体积/原子
21.47
ų
c/a 比
2.4565
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
0.0641
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000030
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
Si · 0.911
元素家族
N/A
溶质分数
0.089
间隙分数
0.911
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.546
家族
Binary Alloy
基质元素
Si · 0.911
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-1220932
参考引用
The crystal structure and related material properties of Na5Si51 were obtained from the Materials Project database (MP-ID: mp-1220932, 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_Na5Si51
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.41495540
_cell_length_b 10.42030226
_cell_length_c 25.58443286
_cell_angle_alpha 90.01927780
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.98302759
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na5Si51
_chemical_formula_sum 'Na10 Si102'
_cell_volume 2405.01824045
_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
Na Na0 1 0.33332716 0.16665533 0.79169807 1.0
Na Na1 1 0.00001268 0.50002536 0.12498653 1.0
Na Na2 1 0.66666926 0.83333752 0.45833824 1.0
Na Na3 1 0.99998732 0.49997464 0.87501347 1.0
Na Na4 1 0.66667284 0.83334467 0.20830193 1.0
Na Na5 1 0.33333074 0.16666248 0.54166176 1.0
Na Na6 1 0.33331317 0.16662735 0.16672227 1.0
Na Na7 1 0.00000000 0.50000000 0.50000000 1.0
Na Na8 1 0.66668683 0.83337265 0.83327773 1.0
Na Na9 1 0.50000000 0.50000000 0.00000000 1.0
Si Si10 1 0.33307511 0.16615122 0.94888122 1.0
Si Si11 1 0.00006207 0.50012414 0.28233506 1.0
Si Si12 1 0.66667259 0.83334418 0.61562595 1.0
Si Si13 1 0.54303227 0.58606555 0.73914647 1.0
Si Si14 1 0.20925703 0.91851405 0.07251010 1.0
Si Si15 1 0.87638641 0.25277181 0.40581008 1.0
Si Si16 1 0.54308015 0.95714119 0.73916040 1.0
Si Si17 1 0.20924042 0.29041892 0.07253946 1.0
Si Si18 1 0.87634333 0.62364256 0.40579727 1.0
Si Si19 1 0.91406004 0.95714119 0.73916040 1.0
Si Si20 1 0.58117850 0.29041892 0.07253946 1.0
Si Si21 1 0.24730023 0.62364256 0.40579727 1.0
Si Si22 1 0.99993793 0.49987586 0.71766494 1.0
Si Si23 1 0.66692489 0.83384878 0.05111878 1.0
Si Si24 1 0.33332741 0.16665582 0.38437405 1.0
Si Si25 1 0.79074297 0.08148595 0.92748990 1.0
Si Si26 1 0.45696773 0.41393445 0.26085353 1.0
Si Si27 1 0.12361359 0.74722819 0.59418992 1.0
Si Si28 1 0.79075958 0.70958108 0.92746054 1.0
Si Si29 1 0.45691985 0.04285881 0.26083960 1.0
Si Si30 1 0.12365667 0.37635744 0.59420273 1.0
Si Si31 1 0.41882150 0.70958108 0.92746054 1.0
Si Si32 1 0.08593996 0.04285881 0.26083960 1.0
Si Si33 1 0.75269977 0.37635744 0.59420273 1.0
Si Si34 1 0.66670464 0.83340828 0.70799522 1.0
Si Si35 1 0.33300939 0.16601979 0.04131943 1.0
Si Si36 1 0.99996286 0.49992573 0.37462712 1.0
Si Si37 1 0.66699061 0.83398021 0.95868057 1.0
Si Si38 1 0.33329536 0.16659172 0.29200478 1.0
Si Si39 1 0.00003714 0.50007427 0.62537288 1.0
Si Si40 1 0.58442050 0.29215700 0.92131359 1.0
Si Si41 1 0.25084681 0.62559627 0.25477994 1.0
Si Si42 1 0.91759389 0.95877537 0.58807028 1.0
Si Si43 1 0.33839485 0.55367231 0.79025941 1.0
Si Si44 1 0.00535178 0.88738076 0.12377034 1.0
Si Si45 1 0.67177363 0.22029454 0.45703863 1.0
Si Si46 1 0.33848464 0.78486534 0.79039835 1.0
Si Si47 1 0.00467120 0.11767179 0.12378704 1.0
Si Si48 1 0.67178558 0.45149765 0.45703772 1.0
Si Si49 1 0.73858181 0.36943336 0.99802594 1.0
Si Si50 1 0.40507325 0.70258887 0.33130031 1.0
Si Si51 1 0.07186566 0.03599929 0.66464900 1.0
Si Si52 1 0.71533429 0.16164686 0.79028619 1.0
Si Si53 1 0.38182765 0.49501313 0.12376384 1.0
Si Si54 1 0.04848073 0.82824080 0.45704426 1.0
Si Si55 1 0.20759664 0.91519427 0.92134168 1.0
Si Si56 1 0.87458744 0.24917489 0.25472779 1.0
Si Si57 1 0.54123796 0.58247492 0.58804802 1.0
Si Si58 1 0.13106791 0.76213481 0.99802587 1.0
Si Si59 1 0.79741121 0.09482343 0.33133286 1.0
Si Si60 1 0.46400812 0.42801624 0.66465621 1.0
Si Si61 1 0.94631257 0.16164686 0.79028619 1.0
Si Si62 1 0.61318648 0.49501313 0.12376384 1.0
Si Si63 1 0.27975908 0.82824080 0.45704426 1.0
Si Si64 1 0.71527747 0.55367231 0.79025941 1.0
Si Si65 1 0.38202998 0.88738076 0.12377034 1.0
Si Si66 1 0.04851992 0.22029454 0.45703863 1.0
Si Si67 1 0.13085254 0.36943336 0.99802594 1.0
Si Si68 1 0.79751462 0.70258887 0.33130031 1.0
Si Si69 1 0.46413363 0.03599929 0.66464900 1.0
Si Si70 1 0.20773550 0.29215700 0.92131359 1.0
Si Si71 1 0.87474946 0.62559627 0.25477994 1.0
Si Si72 1 0.54118249 0.95877537 0.58807028 1.0
Si Si73 1 0.94638070 0.78486534 0.79039835 1.0
Si Si74 1 0.61300159 0.11767179 0.12378704 1.0
Si Si75 1 0.27971107 0.45149765 0.45703772 1.0
Si Si76 1 0.74915319 0.37440373 0.74522006 1.0
Si Si77 1 0.41557950 0.70784300 0.07868641 1.0
Si Si78 1 0.08240611 0.04122463 0.41192972 1.0
Si Si79 1 0.99464822 0.11261924 0.87622966 1.0
Si Si80 1 0.66160515 0.44632769 0.20974059 1.0
Si Si81 1 0.32822637 0.77970546 0.54296137 1.0
Si Si82 1 0.99532880 0.88232821 0.87621296 1.0
Si Si83 1 0.66151536 0.21513466 0.20960165 1.0
Si Si84 1 0.32821442 0.54850235 0.54296228 1.0
Si Si85 1 0.59492675 0.29741113 0.66869969 1.0
Si Si86 1 0.26141819 0.63056664 0.00197406 1.0
Si Si87 1 0.92813434 0.96400071 0.33535100 1.0
Si Si88 1 0.61817235 0.50498687 0.87623616 1.0
Si Si89 1 0.28466571 0.83835314 0.20971381 1.0
Si Si90 1 0.95151927 0.17175920 0.54295574 1.0
Si Si91 1 0.12541256 0.75082511 0.74527221 1.0
Si Si92 1 0.79240336 0.08480573 0.07865832 1.0
Si Si93 1 0.45876204 0.41752508 0.41195198 1.0
Si Si94 1 0.20258879 0.90517657 0.66866714 1.0
Si Si95 1 0.86893209 0.23786519 0.00197413 1.0
Si Si96 1 0.53599188 0.57198376 0.33534379 1.0
Si Si97 1 0.38681352 0.50498687 0.87623616 1.0
Si Si98 1 0.05368743 0.83835314 0.20971381 1.0
Si Si99 1 0.72024092 0.17175920 0.54295574 1.0
Si Si100 1 0.61797002 0.11261924 0.87622966 1.0
Si Si101 1 0.28472253 0.44632769 0.20974059 1.0
Si Si102 1 0.95148008 0.77970546 0.54296137 1.0
Si Si103 1 0.20248538 0.29741113 0.66869969 1.0
Si Si104 1 0.86914746 0.63056664 0.00197406 1.0
Si Si105 1 0.53586637 0.96400071 0.33535100 1.0
Si Si106 1 0.12525054 0.37440373 0.74522006 1.0
Si Si107 1 0.79226450 0.70784300 0.07868641 1.0
Si Si108 1 0.45881751 0.04122463 0.41192972 1.0
Si Si109 1 0.38699841 0.88232821 0.87621296 1.0
Si Si110 1 0.05361930 0.21513466 0.20960165 1.0
Si Si111 1 0.72028893 0.54850235 0.54296228 1.0