Na7Ga13
传统材料 TRAMP-ID: mp-571095 · 空间群: R-3m (#166)
基础信息
化学式
Na7Ga13
MP-ID
mp-571095
元素数
2
位点数
120
密度
4.1234
g/cm³
体积
2,578.98
ų
晶胞参数 a
15.7088
Å
晶胞参数 b
15.7088
Å
晶胞参数 c
15.7088
Å
α 角
57.43
°
β 角
57.43
°
γ 角
57.43
°
空间群
R-3m
点群
-3m
晶体系统
Trigonal
Bravais 格子
hR
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.16922
eV/atom
能量/原子
-2.60708
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.6071
eV/atom
体积/原子
21.49
ų
c/a 比
1.0000
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
0.0001
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
Ga · 0.650
元素家族
N/A
溶质分数
0.350
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.613
家族
Binary Alloy
基质元素
Ga · 0.650
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-571095
参考引用
The crystal structure and related material properties of Na7Ga13 were obtained from the Materials Project database (MP-ID: mp-571095, 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_Na7Ga13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.70880988
_cell_length_b 15.70880988
_cell_length_c 15.70881054
_cell_angle_alpha 57.43030411
_cell_angle_beta 57.43030411
_cell_angle_gamma 57.43030215
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na7Ga13
_chemical_formula_sum 'Na42 Ga78'
_cell_volume 2578.97882810
_cell_formula_units_Z 6
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 0.50080100 0.87857800 0.25135100 1.0
Na Na1 1 0.25298100 0.87280000 0.87280000 1.0
Na Na2 1 0.12142200 0.74864900 0.49919900 1.0
Na Na3 1 0.50080100 0.25135100 0.87857800 1.0
Na Na4 1 0.13968500 0.13968500 0.50994900 1.0
Na Na5 1 0.12142200 0.49919900 0.74864900 1.0
Na Na6 1 0.49005100 0.86031500 0.86031500 1.0
Na Na7 1 0.61998300 0.61998300 0.61998300 1.0
Na Na8 1 0.75541300 0.75541300 0.06003200 1.0
Na Na9 1 0.12720000 0.74701900 0.12720000 1.0
Na Na10 1 0.74701900 0.12720000 0.12720000 1.0
Na Na11 1 0.75541300 0.06003200 0.75541300 1.0
Na Na12 1 0.87857800 0.50080100 0.25135100 1.0
Na Na13 1 0.93996800 0.24458700 0.24458700 1.0
Na Na14 1 0.04408900 0.04408900 0.04408900 1.0
Na Na15 1 0.24458700 0.24458700 0.93996800 1.0
Na Na16 1 0.13968500 0.50994900 0.13968500 1.0
Na Na17 1 0.28073600 0.66650600 0.28073600 1.0
Na Na18 1 0.87280000 0.87280000 0.25298100 1.0
Na Na19 1 0.71926400 0.33349400 0.71926400 1.0
Na Na20 1 0.86031500 0.49005100 0.86031500 1.0
Na Na21 1 0.87280000 0.25298100 0.87280000 1.0
Na Na22 1 0.74864900 0.49919900 0.12142200 1.0
Na Na23 1 0.12720000 0.12720000 0.74701900 1.0
Na Na24 1 0.71926400 0.71926400 0.33349400 1.0
Na Na25 1 0.74864900 0.12142200 0.49919900 1.0
Na Na26 1 0.28073600 0.28073600 0.66650600 1.0
Na Na27 1 0.66650600 0.28073600 0.28073600 1.0
Na Na28 1 0.24458700 0.93996800 0.24458700 1.0
Na Na29 1 0.06003200 0.75541300 0.75541300 1.0
Na Na30 1 0.95591100 0.95591100 0.95591100 1.0
Na Na31 1 0.25135100 0.87857800 0.50080100 1.0
Na Na32 1 0.87857800 0.25135100 0.50080100 1.0
Na Na33 1 0.71127700 0.71127700 0.71127700 1.0
Na Na34 1 0.28872300 0.28872300 0.28872300 1.0
Na Na35 1 0.86031500 0.86031500 0.49005100 1.0
Na Na36 1 0.49919900 0.12142200 0.74864900 1.0
Na Na37 1 0.33349400 0.71926400 0.71926400 1.0
Na Na38 1 0.38001700 0.38001700 0.38001700 1.0
Na Na39 1 0.25135100 0.50080100 0.87857800 1.0
Na Na40 1 0.50994900 0.13968500 0.13968500 1.0
Na Na41 1 0.49919900 0.74864900 0.12142200 1.0
Ga Ga42 1 0.50942100 0.50942100 0.15936400 1.0
Ga Ga43 1 0.08363800 0.08363800 0.39601500 1.0
Ga Ga44 1 0.60398500 0.91636200 0.91636200 1.0
Ga Ga45 1 0.08363800 0.39601500 0.08363800 1.0
Ga Ga46 1 0.99447900 0.99447900 0.38672100 1.0
Ga Ga47 1 0.61877000 0.61877000 0.30010400 1.0
Ga Ga48 1 0.67066100 0.48856800 0.48856800 1.0
Ga Ga49 1 0.92793500 0.73696600 0.11963800 1.0
Ga Ga50 1 0.26303400 0.88036200 0.07206500 1.0
Ga Ga51 1 0.61702700 0.31033000 0.96289500 1.0
Ga Ga52 1 0.96289500 0.31033000 0.61702700 1.0
Ga Ga53 1 0.50942100 0.15936400 0.50942100 1.0
Ga Ga54 1 0.11963800 0.92793500 0.73696600 1.0
Ga Ga55 1 0.71857700 0.90811200 0.71857700 1.0
Ga Ga56 1 0.30010400 0.61877000 0.61877000 1.0
Ga Ga57 1 0.91636200 0.60398500 0.91636200 1.0
Ga Ga58 1 0.60863000 0.95671100 0.60863000 1.0
Ga Ga59 1 0.04328900 0.39137000 0.39137000 1.0
Ga Ga60 1 0.03710500 0.68967000 0.38297300 1.0
Ga Ga61 1 0.39601500 0.08363800 0.08363800 1.0
Ga Ga62 1 0.88036200 0.07206500 0.26303400 1.0
Ga Ga63 1 0.68967000 0.38297300 0.03710500 1.0
Ga Ga64 1 0.96289500 0.61702700 0.31033000 1.0
Ga Ga65 1 0.61702700 0.96289500 0.31033000 1.0
Ga Ga66 1 0.00552100 0.61327900 0.00552100 1.0
Ga Ga67 1 0.15915800 0.51124700 0.33247200 1.0
Ga Ga68 1 0.09188800 0.28142300 0.28142300 1.0
Ga Ga69 1 0.95671100 0.60863000 0.60863000 1.0
Ga Ga70 1 0.07206500 0.26303400 0.88036200 1.0
Ga Ga71 1 0.49057900 0.84063600 0.49057900 1.0
Ga Ga72 1 0.28142300 0.09188800 0.28142300 1.0
Ga Ga73 1 0.61327900 0.00552100 0.00552100 1.0
Ga Ga74 1 0.38123000 0.38123000 0.69989600 1.0
Ga Ga75 1 0.48875300 0.66752800 0.84084200 1.0
Ga Ga76 1 0.31033000 0.61702700 0.96289500 1.0
Ga Ga77 1 0.91636200 0.91636200 0.60398500 1.0
Ga Ga78 1 0.11963800 0.73696600 0.92793500 1.0
Ga Ga79 1 0.03710500 0.38297300 0.68967000 1.0
Ga Ga80 1 0.48856800 0.67066100 0.48856800 1.0
Ga Ga81 1 0.32933900 0.51143200 0.51143200 1.0
Ga Ga82 1 0.90811200 0.71857700 0.71857700 1.0
Ga Ga83 1 0.51143200 0.32933900 0.51143200 1.0
Ga Ga84 1 0.38123000 0.69989600 0.38123000 1.0
Ga Ga85 1 0.69989600 0.38123000 0.38123000 1.0
Ga Ga86 1 0.48856800 0.48856800 0.67066100 1.0
Ga Ga87 1 0.38297300 0.68967000 0.03710500 1.0
Ga Ga88 1 0.51124700 0.33247200 0.15915800 1.0
Ga Ga89 1 0.33247200 0.15915800 0.51124700 1.0
Ga Ga90 1 0.84063600 0.49057900 0.49057900 1.0
Ga Ga91 1 0.51143200 0.51143200 0.32933900 1.0
Ga Ga92 1 0.99447900 0.38672100 0.99447900 1.0
Ga Ga93 1 0.66752800 0.48875300 0.84084200 1.0
Ga Ga94 1 0.84084200 0.48875300 0.66752800 1.0
Ga Ga95 1 0.39137000 0.39137000 0.04328900 1.0
Ga Ga96 1 0.73696600 0.92793500 0.11963800 1.0
Ga Ga97 1 0.49057900 0.49057900 0.84063600 1.0
Ga Ga98 1 0.33247200 0.51124700 0.15915800 1.0
Ga Ga99 1 0.38297300 0.03710500 0.68967000 1.0
Ga Ga100 1 0.31033000 0.96289500 0.61702700 1.0
Ga Ga101 1 0.28142300 0.28142300 0.09188800 1.0
Ga Ga102 1 0.48875300 0.84084200 0.66752800 1.0
Ga Ga103 1 0.38672100 0.99447900 0.99447900 1.0
Ga Ga104 1 0.61877000 0.30010400 0.61877000 1.0
Ga Ga105 1 0.68967000 0.03710500 0.38297300 1.0
Ga Ga106 1 0.26303400 0.07206500 0.88036200 1.0
Ga Ga107 1 0.07206500 0.88036200 0.26303400 1.0
Ga Ga108 1 0.66752800 0.84084200 0.48875300 1.0
Ga Ga109 1 0.15936400 0.50942100 0.50942100 1.0
Ga Ga110 1 0.39137000 0.04328900 0.39137000 1.0
Ga Ga111 1 0.88036200 0.26303400 0.07206500 1.0
Ga Ga112 1 0.71857700 0.71857700 0.90811200 1.0
Ga Ga113 1 0.60863000 0.60863000 0.95671100 1.0
Ga Ga114 1 0.84084200 0.66752800 0.48875300 1.0
Ga Ga115 1 0.15915800 0.33247200 0.51124700 1.0
Ga Ga116 1 0.51124700 0.15915800 0.33247200 1.0
Ga Ga117 1 0.73696600 0.11963800 0.92793500 1.0
Ga Ga118 1 0.92793500 0.11963800 0.73696600 1.0
Ga Ga119 1 0.00552100 0.00552100 0.61327900 1.0