基础信息
化学式
Na4Ge9O20
MP-ID
mp-3153
元素数
3
位点数
66
密度
4.0531
g/cm³
体积
873.23
ų
晶胞参数 a
11.4178
Å
晶胞参数 b
11.4178
Å
晶胞参数 c
11.4178
Å
α 角
96.21
°
β 角
96.21
°
γ 角
141.59
°
空间群
I4_1/a
点群
4/m
晶体系统
Tetragonal
Bravais 格子
tI
稳定性
Yes
堆积分数
-
X 射线衍射
衍射图谱
横轴为 2θ (°)，纵轴为相对强度，Cu Kα ， λ=1.5418 Å
衍射峰（Top 24）
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.61 | 7.6244 | 58.3 | (1,-1,1) |
| 13.14 | 6.7379 | 70.1 | (1,0,0) |
| 16.44 | 5.3912 | 66.0 | (0,0,2) |
| 17.57 | 5.0489 | 32.2 | (1,0,1) |
| 21.10 | 4.2096 | 100.0 | (2,-1,1) |
| 23.33 | 3.8122 | 1.5 | (2,-2,2) |
| 24.15 | 3.6852 | 60.1 | (1,0,2) |
| 25.11 | 3.5465 | 9.8 | (1,1,0) |
| 26.13 | 3.4097 | 28.8 | (1,-1,3) |
| 26.46 | 3.3689 | 48.5 | (2,0,0) |
| 26.87 | 3.3179 | 28.1 | (2,-1,2) |
| 28.98 | 3.0815 | 1.0 | (1,1,1) |
| 30.16 | 2.9629 | 24.6 | (2,0,1) |
| 31.67 | 2.8257 | 6.4 | (1,0,3) |
| 33.24 | 2.6956 | 7.7 | (0,0,4) |
| 33.50 | 2.6753 | 1.1 | (3,-1,1) |
| 33.83 | 2.6496 | 34.3 | (2,-1,3) |
| 34.54 | 2.5966 | 10.3 | (1,1,2) |
| 35.32 | 2.5415 | 4.5 | (3,-3,3) |
| 35.56 | 2.5244 | 43.4 | (2,0,2) |
| 36.36 | 2.4706 | 16.4 | (2,1,-1) |
| 37.30 | 2.4110 | 77.4 | (2,-2,4) |
| 37.83 | 2.3779 | 15.2 | (3,-2,3) |
| 38.30 | 2.3502 | 32.4 | (2,1,0) |
能量属性
形成能/原子
-2.15222
eV/atom
能量/原子
-6.57444
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-6.1581
eV/atom
体积/原子
13.23
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
0.0014
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
O · 0.606
元素家族
N/A
溶质分数
0.394
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.564
家族
O-rich Multi-Component
基质元素
O · 0.606
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-3153
参考引用
The crystal structure and related material properties of Na4Ge9O20 were obtained from the Materials Project database (MP-ID: mp-3153, 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_Na4Ge9O20
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.41774564
_cell_length_b 11.41774564
_cell_length_c 11.41774564
_cell_angle_alpha 96.21061476
_cell_angle_beta 96.21061476
_cell_angle_gamma 141.59441760
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na4Ge9O20
_chemical_formula_sum 'Na8 Ge18 O40'
_cell_volume 873.22699599
_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 0.20818300 0.98921200 0.60786800 1.0
Na Na1 1 0.85031600 0.95818300 0.71897200 1.0
Na Na2 1 0.23921200 0.13134400 0.28102800 1.0
Na Na3 1 0.38134400 0.60031600 0.39213200 1.0
Na Na4 1 0.04181700 0.76078800 0.89213200 1.0
Na Na5 1 0.39968400 0.79181700 0.78102800 1.0
Na Na6 1 0.01078800 0.61865600 0.21897200 1.0
Na Na7 1 0.86865600 0.14968400 0.10786800 1.0
Ge Ge8 1 0.28753600 0.62775900 0.06580900 1.0
Ge Ge9 1 0.47172700 0.03753600 0.15977700 1.0
Ge Ge10 1 0.87775900 0.31195000 0.84022300 1.0
Ge Ge11 1 0.56195000 0.22172700 0.93419100 1.0
Ge Ge12 1 0.96246400 0.12224100 0.43419100 1.0
Ge Ge13 1 0.77827300 0.71246400 0.34022300 1.0
Ge Ge14 1 0.37224100 0.43805000 0.65977700 1.0
Ge Ge15 1 0.68805000 0.52827300 0.56580900 1.0
Ge Ge16 1 0.00000000 0.00000000 0.00000000 1.0
Ge Ge17 1 0.25000000 0.75000000 0.50000000 1.0
Ge Ge18 1 0.52035600 0.14734000 0.43625300 1.0
Ge Ge19 1 0.33410200 0.27035600 0.87301600 1.0
Ge Ge20 1 0.39734000 0.46108700 0.12698400 1.0
Ge Ge21 1 0.71108700 0.08410200 0.56374700 1.0
Ge Ge22 1 0.72964400 0.60266000 0.06374700 1.0
Ge Ge23 1 0.91589800 0.47964400 0.62698400 1.0
Ge Ge24 1 0.85266000 0.28891300 0.37301600 1.0
Ge Ge25 1 0.53891300 0.66589800 0.93625300 1.0
O O26 1 0.46578500 0.76200800 0.98603100 1.0
O O27 1 0.72975400 0.21578500 0.20377700 1.0
O O28 1 0.01200800 0.52597700 0.79622300 1.0
O O29 1 0.77597700 0.47975400 0.01396900 1.0
O O30 1 0.78421500 0.98799200 0.51396900 1.0
O O31 1 0.52024600 0.53421500 0.29622300 1.0
O O32 1 0.23799200 0.22402300 0.70377700 1.0
O O33 1 0.47402300 0.27024600 0.48603100 1.0
O O34 1 0.33987700 0.57023000 0.17892300 1.0
O O35 1 0.41095400 0.08987700 0.26964700 1.0
O O36 1 0.82023000 0.14130800 0.73035300 1.0
O O37 1 0.39130800 0.16095400 0.82107700 1.0
O O38 1 0.91012300 0.17977000 0.32107700 1.0
O O39 1 0.83904600 0.66012300 0.23035300 1.0
O O40 1 0.42977000 0.60869200 0.76964700 1.0
O O41 1 0.85869200 0.58904600 0.67892300 1.0
O O42 1 0.02698300 0.39385100 0.98833600 1.0
O O43 1 0.28864700 0.77698300 0.13313100 1.0
O O44 1 0.64385100 0.15551600 0.86686900 1.0
O O45 1 0.40551600 0.03864700 0.01166400 1.0
O O46 1 0.22301700 0.35614900 0.51166400 1.0
O O47 1 0.96135300 0.97301700 0.36686900 1.0
O O48 1 0.60614900 0.59448400 0.63313100 1.0
O O49 1 0.84448400 0.71135300 0.48833600 1.0
O O50 1 0.29760000 0.40558100 0.94717000 1.0
O O51 1 0.60043000 0.04760000 0.39201900 1.0
O O52 1 0.27613500 0.90745500 0.44606100 1.0
O O53 1 0.08007400 0.02613500 0.86868100 1.0
O O54 1 0.15745500 0.21139300 0.13131900 1.0
O O55 1 0.46139300 0.83007400 0.55393900 1.0
O O56 1 0.97386500 0.84254500 0.05393900 1.0
O O57 1 0.16992600 0.72386500 0.63131900 1.0
O O58 1 0.09254500 0.53860700 0.36868100 1.0
O O59 1 0.78860700 0.91992600 0.94606100 1.0
O O60 1 0.79158900 0.39957000 0.44717000 1.0
O O61 1 0.59441900 0.54158900 0.89201900 1.0
O O62 1 0.64957000 0.70240000 0.10798100 1.0
O O63 1 0.95240000 0.34441900 0.55283000 1.0
O O64 1 0.45841100 0.35043000 0.05283000 1.0
O O65 1 0.65558100 0.20841100 0.60798100 1.0
