Na7Si51
传统材料 TRAMP-ID: mp-1221185 · 空间群: C2/m (#12)
基础信息
化学式
Na7Si51
MP-ID
mp-1221185
元素数
2
位点数
116
密度
2.1908
g/cm³
体积
2,415.27
ų
晶胞参数 a
10.4365
Å
晶胞参数 b
10.4349
Å
晶胞参数 c
25.6103
Å
α 角
89.98
°
β 角
90.00
°
γ 角
120.01
°
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
0.05430
eV/atom
能量/原子
-8.09072
eV/atom
凸包距离
0.0710
eV/atom
未修正能量
-4.9215
eV/atom
体积/原子
20.82
ų
c/a 比
2.4539
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
0.0048
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
Si · 0.879
元素家族
N/A
溶质分数
0.121
间隙分数
0.879
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.569
家族
Binary Alloy
基质元素
Si · 0.879
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-1221185
参考引用
The crystal structure and related material properties of Na7Si51 were obtained from the Materials Project database (MP-ID: mp-1221185, 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_Na7Si51
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.43649898
_cell_length_b 10.43490769
_cell_length_c 25.61032544
_cell_angle_alpha 89.98154088
_cell_angle_beta 90.00000942
_cell_angle_gamma 120.00519756
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na7Si51
_chemical_formula_sum 'Na14 Si102'
_cell_volume 2415.27394835
_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 0.33334576 0.16668328 0.79165376 1.0
Na Na1 1 0.00001119 0.50001103 0.12496866 1.0
Na Na2 1 0.66664878 0.83330604 0.45833447 1.0
Na Na3 1 0.99998724 0.49998372 0.87501324 1.0
Na Na4 1 0.66668522 0.83335996 0.20833153 1.0
Na Na5 1 0.33332181 0.16665597 0.54169834 1.0
Na Na6 1 0.83334121 0.16668879 0.66665536 1.0
Na Na7 1 0.49999179 0.49997821 0.00001164 1.0
Na Na8 1 0.50000504 0.99998062 0.00002630 1.0
Na Na9 1 0.16666700 0.33333300 0.33333300 1.0
Na Na10 1 0.83332796 0.66668638 0.66664070 1.0
Na Na11 1 0.99997492 0.99998410 0.00002336 1.0
Na Na12 1 0.66666700 0.33333300 0.33333300 1.0
Na Na13 1 0.33335808 0.66668290 0.66664364 1.0
Si Si14 1 0.66665642 0.83331103 0.70829960 1.0
Si Si15 1 0.33333404 0.16666763 0.04162325 1.0
Si Si16 1 0.00043922 0.50087891 0.37492803 1.0
Si Si17 1 0.66667758 0.83335497 0.95836640 1.0
Si Si18 1 0.33289378 0.16578809 0.29173897 1.0
Si Si19 1 -0.00000104 0.49999937 0.62504375 1.0
Si Si20 1 0.58558795 0.29279175 0.92099345 1.0
Si Si21 1 0.25221718 0.62628200 0.25440511 1.0
Si Si22 1 0.91879740 0.95936280 0.58771628 1.0
Si Si23 1 0.33828173 0.55397395 0.79046521 1.0
Si Si24 1 0.00479369 0.88714131 0.12400255 1.0
Si Si25 1 0.67126795 0.22019299 0.45705949 1.0
Si Si26 1 0.33828982 0.78429120 0.79047891 1.0
Si Si27 1 0.00487163 0.11745237 0.12378024 1.0
Si Si28 1 0.67225086 0.45157466 0.45698731 1.0
Si Si29 1 0.73730670 0.36870593 0.99820233 1.0
Si Si30 1 0.40384358 0.70207893 0.33152404 1.0
Si Si31 1 0.07047544 0.03532871 0.66486954 1.0
Si Si32 1 0.71577028 0.16164672 0.79046893 1.0
Si Si33 1 0.38237707 0.49512079 0.12378548 1.0
Si Si34 1 0.04920378 0.82815960 0.45696107 1.0
Si Si35 1 0.20725999 0.91452072 0.92102020 1.0
Si Si36 1 0.87425731 0.24851601 0.25436779 1.0
Si Si37 1 0.54058527 0.58117168 0.58772189 1.0
Si Si38 1 0.13136450 0.76273057 0.99827611 1.0
Si Si39 1 0.79753104 0.09506382 0.33154663 1.0
Si Si40 1 0.46474205 0.42948308 0.66488230 1.0
Si Si41 1 0.94587633 0.16164666 0.79046890 1.0
Si Si42 1 0.61274598 0.49512103 0.12378611 1.0
Si Si43 1 0.27895532 0.82816057 0.45696092 1.0
Si Si44 1 0.71569260 0.55397459 0.79046533 1.0
Si Si45 1 0.38234791 0.88714126 0.12400267 1.0
Si Si46 1 0.04892426 0.22019347 0.45705950 1.0
Si Si47 1 0.13139844 0.36870579 0.99820236 1.0
Si Si48 1 0.79823316 0.70207806 0.33152425 1.0
Si Si49 1 0.46485487 0.03532819 0.66486989 1.0
Si Si50 1 0.20720355 0.29279175 0.92099276 1.0
Si Si51 1 0.87406497 0.62628194 0.25440504 1.0
Si Si52 1 0.54056507 0.95936280 0.58771615 1.0
Si Si53 1 0.94600140 0.78429206 0.79047898 1.0
Si Si54 1 0.61258224 0.11745344 0.12378035 1.0
Si Si55 1 0.27932226 0.45157479 0.45698727 1.0
Si Si56 1 0.74774605 0.37387425 0.74567255 1.0
Si Si57 1 0.41453560 0.70730420 0.07895072 1.0
Si Si58 1 0.08111582 0.04038500 0.41226189 1.0
Si Si59 1 0.99505127 0.11269305 0.87620179 1.0
Si Si60 1 0.66206505 0.44647401 0.20960751 1.0
Si Si61 1 0.32854031 0.77952469 0.54266345 1.0
Si Si62 1 0.99504318 0.88237580 0.87618809 1.0
Si Si63 1 0.66108214 0.21509234 0.20967969 1.0
Si Si64 1 0.32846237 0.54921363 0.54288576 1.0
Si Si65 1 0.59602630 0.29796107 0.66846467 1.0
Si Si66 1 0.26285856 0.63133729 0.00179646 1.0
Si Si67 1 0.92948942 0.96458807 0.33514296 1.0
Si Si68 1 0.61756272 0.50502028 0.87619807 1.0
Si Si69 1 0.28412922 0.83850740 0.20970593 1.0
Si Si70 1 0.95095693 0.17154521 0.54288052 1.0
Si Si71 1 0.12607401 0.75214528 0.74564580 1.0
Si Si72 1 0.79274773 0.08549532 0.07894511 1.0
Si Si73 1 0.45907569 0.41815099 0.41229921 1.0
Si Si74 1 0.20196850 0.90393643 0.66839089 1.0
Si Si75 1 0.86859195 0.23718292 0.00178370 1.0
Si Si76 1 0.53580196 0.57160318 0.33512037 1.0
Si Si77 1 0.38745667 0.50502034 0.87619810 1.0
Si Si78 1 0.05437768 0.83850643 0.20970608 1.0
Si Si79 1 0.72058802 0.17154497 0.54287989 1.0
Si Si80 1 0.61764040 0.11269241 0.87620167 1.0
Si Si81 1 0.28440874 0.44647353 0.20960750 1.0
Si Si82 1 0.95098609 0.77952474 0.54266333 1.0
Si Si83 1 0.20193456 0.29796121 0.66846464 1.0
Si Si84 1 0.86847913 0.63133781 0.00179611 1.0
Si Si85 1 0.53509984 0.96458894 0.33514275 1.0
Si Si86 1 0.12613045 0.37387425 0.74567324 1.0
Si Si87 1 0.79276793 0.70730420 0.07895085 1.0
Si Si88 1 0.45926803 0.04038506 0.41226196 1.0
Si Si89 1 0.38733160 0.88237494 0.87618802 1.0
Si Si90 1 0.05401074 0.21509221 0.20967973 1.0
Si Si91 1 0.72075176 0.54921256 0.54288565 1.0
Si Si92 1 0.33335488 0.16671205 0.94901067 1.0
Si Si93 1 0.00023620 0.50047356 0.28244799 1.0
Si Si94 1 0.66666757 0.83333415 0.61562711 1.0
Si Si95 1 0.54199537 0.58399070 0.73954924 1.0
Si Si96 1 0.20865036 0.91730037 0.07291739 1.0
Si Si97 1 0.87584311 0.25168726 0.40616912 1.0
Si Si98 1 0.54209963 0.95814071 0.73958250 1.0
Si Si99 1 0.20866350 0.29152384 0.07293186 1.0
Si Si100 1 0.87595908 0.62492869 0.40617382 1.0
Si Si101 1 0.91604028 0.95814114 0.73958278 1.0
Si Si102 1 0.58286173 0.29152394 0.07293183 1.0
Si Si103 1 0.24896944 0.62492897 0.40617387 1.0
Si Si104 1 0.99997812 0.49995495 0.71765633 1.0
Si Si105 1 0.66666643 0.83333185 0.05103889 1.0
Si Si106 1 0.33309680 0.16619344 0.38421901 1.0
Si Si107 1 0.79133763 0.08267630 0.92711776 1.0
Si Si108 1 0.45748989 0.41497974 0.26049788 1.0
Si Si109 1 0.12468364 0.74936563 0.59374861 1.0
Si Si110 1 0.79123337 0.70852629 0.92708450 1.0
Si Si111 1 0.45737392 0.04173831 0.26049318 1.0
Si Si112 1 0.12467050 0.37514216 0.59373414 1.0
Si Si113 1 0.41729272 0.70852586 0.92708422 1.0
Si Si114 1 0.08436356 0.04173803 0.26049313 1.0
Si Si115 1 0.75047227 0.37514206 0.59373417 1.0