Ho11Ge10
传统材料 TRAMP-ID: mp-9994 · 空间群: I4/mmm (#139)
基础信息
化学式
Ho11Ge10
MP-ID
mp-9994
元素数
2
位点数
42
密度
8.8318
g/cm³
体积
955.37
ų
晶胞参数 a
10.8212
Å
晶胞参数 b
10.8212
Å
晶胞参数 c
11.1854
Å
α 角
118.93
°
β 角
118.93
°
γ 角
90.00
°
空间群
I4/mmm
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tI
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 |
|---|---|---|---|
| 9.81 | 9.0183 | 1.1 | (1,0,-1) |
| 9.81 | 9.0183 | 1.1 | (1,0,0) |
| 11.56 | 7.6518 | 2.2 | (1,1,-1) |
| 11.56 | 7.6518 | 2.2 | (1,-1,0) |
| 23.25 | 3.8259 | 16.5 | (2,2,-2) |
| 23.25 | 3.8259 | 16.5 | (2,-2,0) |
| 24.62 | 3.6155 | 1.0 | (2,-1,-2) |
| 24.62 | 3.6155 | 1.0 | (2,-1,1) |
| 24.62 | 3.6155 | 1.0 | (2,1,0) |
| 25.29 | 3.5221 | 27.3 | (3,0,-2) |
| 25.29 | 3.5221 | 27.3 | (3,0,-1) |
| 25.72 | 3.4639 | 1.9 | (2,2,-3) |
| 25.72 | 3.4639 | 1.9 | (2,-2,-1) |
| 25.72 | 3.4639 | 3.8 | (2,2,-1) |
| 26.04 | 3.4220 | 1.5 | (3,1,-2) |
| 26.04 | 3.4220 | 1.5 | (3,-1,-1) |
| 27.38 | 3.2573 | 11.8 | (2,0,-3) |
| 27.38 | 3.2573 | 11.8 | (2,0,1) |
| 28.28 | 3.1556 | 1.1 | (3,1,-3) |
| 28.28 | 3.1556 | 1.1 | (3,-1,-2) |
| 28.28 | 3.1556 | 2.3 | (3,1,-1) |
| 28.57 | 3.1245 | 15.5 | (1,0,-3) |
| 28.57 | 3.1245 | 15.5 | (1,0,2) |
| 29.72 | 3.0061 | 7.2 | (3,0,-3) |
能量属性
形成能/原子
-0.83669
eV/atom
能量/原子
-5.44644
eV/atom
凸包距离
0.0109
eV/atom
未修正能量
-24.7848
eV/atom
体积/原子
22.75
ų
c/a 比
1.0337
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
0.0000
μB
磁有序
Unknown
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
组成概览
元素组成（原子分数）
组成信息
主元 / 基质元素
Ho · 0.524
元素家族
N/A
溶质分数
0.476
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
0.626
家族
Binary Alloy
基质元素
Ho · 0.524
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-9994
参考引用
The crystal structure and related material properties of Ho11Ge10 were obtained from the Materials Project database (MP-ID: mp-9994, 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_Ho11Ge10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.82122725
_cell_length_b 10.82122665
_cell_length_c 11.18539148
_cell_angle_alpha 118.92879459
_cell_angle_beta 118.92880144
_cell_angle_gamma 89.99997404
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho11Ge10
_chemical_formula_sum 'Ho22 Ge20'
_cell_volume 955.36749637
_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
Ho Ho0 1 0.27770047 0.60134476 0.20268953 1.0
Ho Ho1 1 0.39865524 0.07500994 0.79730947 1.0
Ho Ho2 1 0.92499006 0.60134476 0.20269053 1.0
Ho Ho3 1 0.60134476 0.92499006 0.20269053 1.0
Ho Ho4 1 0.60134476 0.27770047 0.20269053 1.0
Ho Ho5 1 0.72229953 0.39865524 0.79731047 1.0
Ho Ho6 1 0.07500994 0.39865524 0.79730947 1.0
Ho Ho7 1 0.39865524 0.72229953 0.79731047 1.0
Ho Ho8 1 0.66011611 0.66011611 0.32023323 1.0
Ho Ho9 1 0.33988389 0.33988389 0.67976677 1.0
Ho Ho10 1 0.82349847 0.82349847 -0.00000000 1.0
Ho Ho11 1 0.17650053 0.82349847 0.00000000 1.0
Ho Ho12 1 0.82349947 0.17650153 -0.00000000 1.0
Ho Ho13 1 0.17650053 0.17650153 0.00000000 1.0
Ho Ho14 1 0.19022775 0.93750806 0.38045651 1.0
Ho Ho15 1 0.55705256 0.80977225 0.61954449 1.0
Ho Ho16 1 0.06249194 0.80977225 0.61954349 1.0
Ho Ho17 1 0.80977225 0.06249194 0.61954349 1.0
Ho Ho18 1 0.80977225 0.55705256 0.61954449 1.0
Ho Ho19 1 0.44294744 0.19022775 0.38045551 1.0
Ho Ho20 1 0.93750806 0.19022775 0.38045651 1.0
Ho Ho21 1 0.19022775 0.44294744 0.38045551 1.0
Ge Ge22 1 0.10916536 0.10916536 0.63556485 1.0
Ge Ge23 1 0.47360051 0.47360051 0.36443515 1.0
Ge Ge24 1 0.89083464 0.89083464 0.36443515 1.0
Ge Ge25 1 0.47360051 0.89083464 0.36443515 1.0
Ge Ge26 1 0.89083464 0.47360051 0.36443515 1.0
Ge Ge27 1 0.52639949 0.10916536 0.63556485 1.0
Ge Ge28 1 0.10916536 0.52639949 0.63556485 1.0
Ge Ge29 1 0.52639949 0.52639949 0.63556485 1.0
Ge Ge30 1 0.75000000 0.25000000 0.50000000 1.0
Ge Ge31 1 0.25000000 0.75000000 0.50000000 1.0
Ge Ge32 1 0.61969441 0.61969441 -0.00000000 1.0
Ge Ge33 1 0.38030559 0.61969441 0.00000000 1.0
Ge Ge34 1 0.61969441 0.38030559 -0.00000000 1.0
Ge Ge35 1 0.38030559 0.38030559 0.00000000 1.0
Ge Ge36 1 0.88394845 0.88394845 0.76789691 1.0
Ge Ge37 1 0.11605155 0.11605155 0.23210309 1.0
Ge Ge38 1 0.64250413 0.00000000 -0.00000000 1.0
Ge Ge39 1 0.00000000 0.64250413 -0.00000000 1.0
Ge Ge40 1 -0.00000000 0.35749587 0.00000000 1.0
Ge Ge41 1 0.35749587 -0.00000000 0.00000000 1.0
