Mn11Ge8
传统材料 TRAMP-ID: mp-654223 · 空间群: Pnma (#62)
基础信息
化学式
Mn11Ge8
MP-ID
mp-654223
元素数
2
位点数
76
密度
7.7347
g/cm³
体积
1,018.00
ų
晶胞参数 a
5.0044
Å
晶胞参数 b
12.9686
Å
晶胞参数 c
15.6856
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pnma
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
No
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 |
|---|---|---|---|
| 8.85 | 9.9949 | 1.1 | (0,1,1) |
| 21.32 | 4.1675 | 1.2 | (0,3,1) |
| 22.68 | 3.9214 | 1.9 | (0,0,4) |
| 23.70 | 3.7536 | 1.6 | (0,1,4) |
| 26.56 | 3.3555 | 10.0 | (0,2,4) |
| 27.51 | 3.2422 | 1.3 | (0,4,0) |
| 27.86 | 3.2025 | 2.0 | (1,3,1) |
| 28.10 | 3.1750 | 6.6 | (0,4,1) |
| 28.26 | 3.1577 | 3.2 | (1,2,3) |
| 29.75 | 3.0028 | 2.7 | (1,1,4) |
| 30.78 | 2.9044 | 3.2 | (0,3,4) |
| 32.28 | 2.7733 | 4.4 | (1,3,3) |
| 32.92 | 2.7210 | 1.3 | (1,4,0) |
| 33.42 | 2.6810 | 6.2 | (1,4,1) |
| 34.44 | 2.6039 | 4.5 | (1,1,5) |
| 34.90 | 2.5707 | 1.9 | (1,4,2) |
| 35.01 | 2.5627 | 5.6 | (0,1,6) |
| 35.07 | 2.5590 | 1.7 | (0,5,1) |
| 35.89 | 2.5022 | 35.9 | (2,0,0) |
| 36.54 | 2.4594 | 2.5 | (1,2,5) |
| 38.39 | 2.3446 | 2.9 | (2,1,2) |
| 38.57 | 2.3344 | 5.0 | (2,2,0) |
| 39.55 | 2.2784 | 25.9 | (1,5,1) |
| 39.81 | 2.2643 | 53.2 | (1,3,5) |
能量属性
形成能/原子
-0.10392
eV/atom
能量/原子
-7.35479
eV/atom
凸包距离
0.0087
eV/atom
未修正能量
-7.3548
eV/atom
体积/原子
13.39
ų
c/a 比
3.1343
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
Yes
总磁矩
105.0407
μB
磁有序
FM
磁性位点数
44
磁化强度/体积
0.103180
μB/ų
弹性属性
弹性数据暂不开放
特征分析
组成概览
元素组成（原子分数）
组成信息
主元 / 基质元素
Mn · 0.579
元素家族
N/A
溶质分数
0.421
间隙分数
0.000
传统材料特征
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.816
家族
Binary Alloy
基质元素
Mn · 0.579
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-654223
参考引用
The crystal structure and related material properties of Mn11Ge8 were obtained from the Materials Project database (MP-ID: mp-654223, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Mn11Ge8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00442400
_cell_length_b 12.96860800
_cell_length_c 15.68556800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn11Ge8
_chemical_formula_sum 'Mn44 Ge32'
_cell_volume 1017.99984325
_cell_formula_units_Z 4
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
Mn Mn0 1 0.75000000 0.63486300 0.84294300 1.0
Mn Mn1 1 0.25000000 0.86513700 0.34294300 1.0
Mn Mn2 1 0.75000000 0.13486300 0.65705700 1.0
Mn Mn3 1 0.25000000 0.63044700 0.95830200 1.0
Mn Mn4 1 0.25000000 0.19490900 0.24780100 1.0
Mn Mn5 1 0.75000000 0.80509100 0.75219900 1.0
Mn Mn6 1 0.50116800 0.43975500 0.87918200 1.0
Mn Mn7 1 0.00726300 0.86496200 0.17550800 1.0
Mn Mn8 1 0.25000000 0.25199500 0.96924700 1.0
Mn Mn9 1 0.50726300 0.13503800 0.82449200 1.0
Mn Mn10 1 0.25000000 0.37702400 0.49482000 1.0
Mn Mn11 1 0.99883200 0.93975500 0.62081800 1.0
Mn Mn12 1 0.25000000 0.75199500 0.53075300 1.0
Mn Mn13 1 0.99273700 0.13503800 0.82449200 1.0
Mn Mn14 1 0.49883200 0.56024500 0.12081800 1.0
Mn Mn15 1 0.00116800 0.56024500 0.12081800 1.0
Mn Mn16 1 0.75000000 0.62297600 0.50518000 1.0
Mn Mn17 1 0.25000000 0.93315800 0.80567900 1.0
Mn Mn18 1 0.75000000 0.30509100 0.74780100 1.0
Mn Mn19 1 0.50726300 0.63503800 0.67550800 1.0
Mn Mn20 1 0.75000000 0.56684200 0.30567900 1.0
Mn Mn21 1 0.49883200 0.06024500 0.37918200 1.0
Mn Mn22 1 0.99883200 0.43975500 0.87918200 1.0
Mn Mn23 1 0.75000000 0.86955300 0.45830200 1.0
Mn Mn24 1 0.25000000 0.87702400 0.00518000 1.0
Mn Mn25 1 0.25000000 0.13044700 0.54169800 1.0
Mn Mn26 1 0.25000000 0.69490900 0.25219900 1.0
Mn Mn27 1 0.99273700 0.63503800 0.67550800 1.0
Mn Mn28 1 0.75000000 0.06684200 0.19432100 1.0
Mn Mn29 1 0.75000000 0.24800500 0.46924700 1.0
Mn Mn30 1 0.49273700 0.86496200 0.17550800 1.0
Mn Mn31 1 0.25000000 0.04635700 0.09356500 1.0
Mn Mn32 1 0.49273700 0.36496200 0.32449200 1.0
Mn Mn33 1 0.25000000 0.54635700 0.40643500 1.0
Mn Mn34 1 0.75000000 0.74800500 0.03075300 1.0
Mn Mn35 1 0.25000000 0.36513700 0.15705700 1.0
Mn Mn36 1 0.50116800 0.93975500 0.62081800 1.0
Mn Mn37 1 0.75000000 0.95364300 0.90643500 1.0
Mn Mn38 1 0.75000000 0.45364300 0.59356500 1.0
Mn Mn39 1 0.00726300 0.36496200 0.32449200 1.0
Mn Mn40 1 0.25000000 0.43315800 0.69432100 1.0
Mn Mn41 1 0.75000000 0.12297600 0.99482000 1.0
Mn Mn42 1 0.00116800 0.06024500 0.37918200 1.0
Mn Mn43 1 0.75000000 0.36955300 0.04169800 1.0
Ge Ge44 1 0.25000000 0.29504200 0.80446300 1.0
Ge Ge45 1 0.75000000 0.55595500 0.98348300 1.0
Ge Ge46 1 0.75000000 0.99104500 0.75537800 1.0
Ge Ge47 1 0.75000000 0.94834300 0.06322000 1.0
Ge Ge48 1 0.25000000 0.72594400 0.09630800 1.0
Ge Ge49 1 0.99673100 0.71358400 0.38786300 1.0
Ge Ge50 1 0.75000000 0.70495800 0.19553700 1.0
Ge Ge51 1 0.75000000 0.91545800 0.30385800 1.0
Ge Ge52 1 0.25000000 0.05165700 0.93678000 1.0
Ge Ge53 1 0.25000000 0.50895500 0.25537800 1.0
Ge Ge54 1 0.50326900 0.71358400 0.38786300 1.0
Ge Ge55 1 0.75000000 0.41545800 0.19614200 1.0
Ge Ge56 1 0.75000000 0.27405600 0.90369200 1.0
Ge Ge57 1 0.75000000 0.77405600 0.59630800 1.0
Ge Ge58 1 0.25000000 0.58454200 0.80385800 1.0
Ge Ge59 1 0.75000000 0.49104500 0.74462200 1.0
Ge Ge60 1 0.75000000 0.20495800 0.30446300 1.0
Ge Ge61 1 0.75000000 0.05595500 0.51651700 1.0
Ge Ge62 1 0.25000000 0.44404500 0.01651700 1.0
Ge Ge63 1 0.49673100 0.78641600 0.88786300 1.0
Ge Ge64 1 0.49673100 0.28641600 0.61213700 1.0
Ge Ge65 1 0.25000000 0.79504200 0.69553700 1.0
Ge Ge66 1 0.25000000 0.55165700 0.56322000 1.0
Ge Ge67 1 0.25000000 0.08454200 0.69614200 1.0
Ge Ge68 1 0.99673100 0.21358400 0.11213700 1.0
Ge Ge69 1 0.75000000 0.44834300 0.43678000 1.0
Ge Ge70 1 0.00326900 0.28641600 0.61213700 1.0
Ge Ge71 1 0.25000000 0.22594400 0.40369200 1.0
Ge Ge72 1 0.00326900 0.78641600 0.88786300 1.0
Ge Ge73 1 0.25000000 0.94404500 0.48348300 1.0
Ge Ge74 1 0.50326900 0.21358400 0.11213700 1.0
Ge Ge75 1 0.25000000 0.00895500 0.24462200 1.0
