Na5Sn13
传统材料 TRAMP-ID: mp-1198760 · 空间群: Cmcm (#63)
基础信息
化学式
Na5Sn13
MP-ID
mp-1198760
元素数
2
位点数
144
密度
4.7873
g/cm³
体积
4,601.25
ų
晶胞参数 a
9.1670
Å
晶胞参数 b
10.8714
Å
晶胞参数 c
50.9169
Å
α 角
90.00
°
β 角
90.00
°
γ 角
114.94
°
空间群
Cmcm
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oC
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.12330
eV/atom
能量/原子
-18.98559
eV/atom
凸包距离
0.0341
eV/atom
未修正能量
-3.3587
eV/atom
体积/原子
31.95
ų
c/a 比
5.5544
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
0.7453
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000160
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
Sn · 0.722
元素家族
N/A
溶质分数
0.278
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.784
家族
Binary Alloy
基质元素
Sn · 0.722
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-1198760
参考引用
The crystal structure and related material properties of Na5Sn13 were obtained from the Materials Project database (MP-ID: mp-1198760, 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_Na5Sn13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.16697384
_cell_length_b 10.87143033
_cell_length_c 50.91693262
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 114.93617755
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na5Sn13
_chemical_formula_sum 'Na40 Sn104'
_cell_volume 4601.25051355
_cell_formula_units_Z 8
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 0.41609216 0.83218432 0.25000000 1.0
Na Na1 1 0.58390784 0.16781568 0.75000000 1.0
Na Na2 1 0.94295893 0.88591786 0.25000000 1.0
Na Na3 1 0.05704107 0.11408214 0.75000000 1.0
Na Na4 1 0.93057093 0.86114186 0.02063610 1.0
Na Na5 1 0.06942907 0.13885814 0.97936390 1.0
Na Na6 1 0.93057093 0.86114186 0.47936390 1.0
Na Na7 1 0.06942907 0.13885814 0.52063610 1.0
Na Na8 1 0.57803351 0.15606701 0.07472950 1.0
Na Na9 1 0.42196649 0.84393299 0.92527050 1.0
Na Na10 1 0.57803351 0.15606701 0.42527050 1.0
Na Na11 1 0.42196649 0.84393299 0.57472950 1.0
Na Na12 1 0.19801244 0.39602487 0.14266826 1.0
Na Na13 1 0.80198756 0.60397513 0.85733174 1.0
Na Na14 1 0.19801244 0.39602487 0.35733174 1.0
Na Na15 1 0.80198756 0.60397513 0.64266826 1.0
Na Na16 1 0.35737697 0.71475394 0.75000000 1.0
Na Na17 1 0.64262303 0.28524606 0.25000000 1.0
Na Na18 1 0.09538538 0.19077076 0.41401292 1.0
Na Na19 1 0.90461462 0.80922924 0.58598708 1.0
Na Na20 1 0.09538538 0.19077076 0.08598708 1.0
Na Na21 1 0.90461462 0.80922924 0.91401292 1.0
Na Na22 1 0.89956650 0.31542237 0.87527398 1.0
Na Na23 1 0.58414413 0.68457763 0.12472602 1.0
Na Na24 1 0.89956650 0.31542237 0.62472602 1.0
Na Na25 1 0.58414413 0.68457763 0.37527398 1.0
Na Na26 1 0.10043350 0.68457763 0.12472602 1.0
Na Na27 1 0.41585587 0.31542237 0.87527398 1.0
Na Na28 1 0.10043350 0.68457763 0.37527398 1.0
Na Na29 1 0.41585587 0.31542237 0.62472602 1.0
Na Na30 1 0.93132290 0.43320738 0.31283314 1.0
Na Na31 1 0.49811552 0.56679262 0.68716686 1.0
Na Na32 1 0.93132290 0.43320738 0.18716686 1.0
Na Na33 1 0.49811552 0.56679262 0.81283314 1.0
Na Na34 1 0.06867710 0.56679262 0.68716686 1.0
Na Na35 1 0.50188448 0.43320738 0.31283314 1.0
Na Na36 1 0.06867710 0.56679262 0.81283314 1.0
Na Na37 1 0.50188448 0.43320738 0.18716686 1.0
Na Na38 1 0.19785535 0.39571071 0.25000000 1.0
Na Na39 1 0.80214465 0.60428929 0.75000000 1.0
Sn Sn40 1 0.40040235 0.80080471 0.05072625 1.0
Sn Sn41 1 0.59959765 0.19919529 0.94927375 1.0
Sn Sn42 1 0.40040235 0.80080471 0.44927375 1.0
Sn Sn43 1 0.59959765 0.19919529 0.55072625 1.0
Sn Sn44 1 0.00119015 0.00238031 0.15246474 1.0
Sn Sn45 1 0.99880985 0.99761969 0.84753526 1.0
Sn Sn46 1 0.00119015 0.00238031 0.34753526 1.0
Sn Sn47 1 0.99880985 0.99761969 0.65246474 1.0
Sn Sn48 1 0.87166712 0.74333423 0.08045036 1.0
Sn Sn49 1 0.12833288 0.25666577 0.91954964 1.0
Sn Sn50 1 0.87166712 0.74333423 0.41954964 1.0
Sn Sn51 1 0.12833288 0.25666577 0.58045036 1.0
Sn Sn52 1 0.58359459 0.16718918 0.19089688 1.0
Sn Sn53 1 0.41640541 0.83281082 0.80910312 1.0
Sn Sn54 1 0.58359459 0.16718918 0.30910312 1.0
Sn Sn55 1 0.41640541 0.83281082 0.69089688 1.0
Sn Sn56 1 0.86054828 0.72109656 0.16941090 1.0
Sn Sn57 1 0.13945172 0.27890344 0.83058910 1.0
Sn Sn58 1 0.86054828 0.72109656 0.33058910 1.0
Sn Sn59 1 0.13945172 0.27890344 0.66941090 1.0
Sn Sn60 1 0.27831382 0.55662764 0.08178578 1.0
Sn Sn61 1 0.72168618 0.44337236 0.91821422 1.0
Sn Sn62 1 0.27831382 0.55662764 0.41821422 1.0
Sn Sn63 1 0.72168618 0.44337236 0.58178578 1.0
Sn Sn64 1 0.76997773 0.53995546 0.03819704 1.0
Sn Sn65 1 0.23002227 0.46004454 0.96180296 1.0
Sn Sn66 1 0.76997773 0.53995546 0.46180296 1.0
Sn Sn67 1 0.23002227 0.46004454 0.53819704 1.0
Sn Sn68 1 0.34003936 0.68007873 0.17823651 1.0
Sn Sn69 1 0.65996064 0.31992127 0.82176349 1.0
Sn Sn70 1 0.34003936 0.68007873 0.32176349 1.0
Sn Sn71 1 0.65996064 0.31992127 0.67823651 1.0
Sn Sn72 1 0.20286052 0.93787485 0.06897808 1.0
Sn Sn73 1 0.26498567 0.06212515 0.93102192 1.0
Sn Sn74 1 0.20286052 0.93787485 0.43102192 1.0
Sn Sn75 1 0.26498567 0.06212515 0.56897808 1.0
Sn Sn76 1 0.79713948 0.06212515 0.93102192 1.0
Sn Sn77 1 0.73501433 0.93787485 0.06897808 1.0
Sn Sn78 1 0.79713948 0.06212515 0.56897808 1.0
Sn Sn79 1 0.73501433 0.93787485 0.43102192 1.0
Sn Sn80 1 0.47373043 0.94746086 0.15314886 1.0
Sn Sn81 1 0.52626957 0.05253914 0.84685114 1.0
Sn Sn82 1 0.47373043 0.94746086 0.34685114 1.0
Sn Sn83 1 0.52626957 0.05253914 0.65314886 1.0
Sn Sn84 1 0.28805132 0.17101443 0.03169106 1.0
Sn Sn85 1 0.11703689 0.82898557 0.96830894 1.0
Sn Sn86 1 0.28805132 0.17101443 0.46830894 1.0
Sn Sn87 1 0.11703689 0.82898557 0.53169106 1.0
Sn Sn88 1 0.71194868 0.82898557 0.96830894 1.0
Sn Sn89 1 0.88296311 0.17101443 0.03169106 1.0
Sn Sn90 1 0.71194868 0.82898557 0.53169106 1.0
Sn Sn91 1 0.88296311 0.17101443 0.46830894 1.0
Sn Sn92 1 0.09501859 0.19003718 0.19726456 1.0
Sn Sn93 1 0.90498141 0.80996282 0.80273544 1.0
Sn Sn94 1 0.09501859 0.19003718 0.30273544 1.0
Sn Sn95 1 0.90498141 0.80996282 0.69726456 1.0
Sn Sn96 1 0.51023032 0.34404330 0.12224266 1.0
Sn Sn97 1 0.16618702 0.65595670 0.87775734 1.0
Sn Sn98 1 0.51023032 0.34404330 0.37775734 1.0
Sn Sn99 1 0.16618702 0.65595670 0.62224266 1.0
Sn Sn100 1 0.48976968 0.65595670 0.87775734 1.0
Sn Sn101 1 0.83381298 0.34404330 0.12224266 1.0
Sn Sn102 1 0.48976968 0.65595670 0.62224266 1.0
Sn Sn103 1 0.83381298 0.34404330 0.37775734 1.0
Sn Sn104 1 0.29103267 0.05606192 0.12209317 1.0
Sn Sn105 1 0.23497075 0.94393808 0.87790683 1.0
Sn Sn106 1 0.29103267 0.05606192 0.37790683 1.0
Sn Sn107 1 0.23497075 0.94393808 0.62209317 1.0
Sn Sn108 1 0.70896733 0.94393808 0.87790683 1.0
Sn Sn109 1 0.76502925 0.05606192 0.12209317 1.0
Sn Sn110 1 0.70896733 0.94393808 0.62209317 1.0
Sn Sn111 1 0.76502925 0.05606192 0.37790683 1.0
Sn Sn112 1 0.77670280 0.05992517 0.22081703 1.0
Sn Sn113 1 0.71677763 0.94007483 0.77918297 1.0
Sn Sn114 1 0.77670280 0.05992517 0.27918297 1.0
Sn Sn115 1 0.71677763 0.94007483 0.72081703 1.0
Sn Sn116 1 0.22329720 0.94007483 0.77918297 1.0
Sn Sn117 1 0.28322237 0.05992517 0.22081703 1.0
Sn Sn118 1 0.22329720 0.94007483 0.72081703 1.0
Sn Sn119 1 0.28322237 0.05992517 0.27918297 1.0
Sn Sn120 1 0.42754461 0.85508923 0.99433420 1.0
Sn Sn121 1 0.57245539 0.14491077 0.00566580 1.0
Sn Sn122 1 0.42754461 0.85508923 0.50566580 1.0
Sn Sn123 1 0.57245539 0.14491077 0.49433420 1.0
Sn Sn124 1 0.94223420 0.40675182 0.06652326 1.0
Sn Sn125 1 0.53548239 0.59324818 0.93347674 1.0
Sn Sn126 1 0.94223420 0.40675182 0.43347674 1.0
Sn Sn127 1 0.53548239 0.59324818 0.56652326 1.0
Sn Sn128 1 0.05776580 0.59324818 0.93347674 1.0
Sn Sn129 1 0.46451761 0.40675182 0.06652326 1.0
Sn Sn130 1 0.05776580 0.59324818 0.56652326 1.0
Sn Sn131 1 0.46451761 0.40675182 0.43347674 1.0
Sn Sn132 1 0.11948129 0.76531438 0.20659465 1.0
Sn Sn133 1 0.35416691 0.23468562 0.79340535 1.0
Sn Sn134 1 0.11948129 0.76531438 0.29340535 1.0
Sn Sn135 1 0.35416691 0.23468562 0.70659465 1.0
Sn Sn136 1 0.88051871 0.23468562 0.79340535 1.0
Sn Sn137 1 0.64583309 0.76531438 0.20659465 1.0
Sn Sn138 1 0.88051871 0.23468562 0.70659465 1.0
Sn Sn139 1 0.64583309 0.76531438 0.29340535 1.0
Sn Sn140 1 0.95534856 0.57835318 0.25000000 1.0
Sn Sn141 1 0.37699538 0.42164682 0.75000000 1.0
Sn Sn142 1 0.04465144 0.42164682 0.75000000 1.0
Sn Sn143 1 0.62300462 0.57835318 0.25000000 1.0