基础信息
化学式
Tb11HoIn20
MP-ID
mp-3291513
元素数
3
位点数
32
密度
8.4860
g/cm³
体积
823.71
ų
晶胞参数 a
6.4269
Å
晶胞参数 b
10.4206
Å
晶胞参数 c
12.2993
Å
α 角
90.00
°
β 角
89.98
°
γ 角
90.00
°
空间群
Pm
点群
m
晶体系统
Monoclinic
Bravais 格子
mP
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 |
|---|---|---|---|
| 23.13 | 3.8448 | 1.5 | (1,2,1) |
| 23.14 | 3.8442 | 1.5 | (1,2,-1) |
| 25.77 | 3.4571 | 1.1 | (1,0,3) |
| 25.78 | 3.4557 | 1.0 | (1,0,-3) |
| 26.36 | 3.3812 | 3.4 | (1,2,2) |
| 26.37 | 3.3804 | 3.5 | (1,2,-2) |
| 28.71 | 3.1094 | 6.3 | (2,0,1) |
| 28.72 | 3.1088 | 6.2 | (2,0,-1) |
| 29.04 | 3.0748 | 2.9 | (0,0,4) |
| 29.23 | 3.0558 | 5.3 | (1,3,0) |
| 29.54 | 3.0244 | 17.2 | (0,3,2) |
| 29.99 | 2.9796 | 12.5 | (2,1,1) |
| 30.00 | 2.9790 | 12.4 | (2,1,-1) |
| 30.13 | 2.9658 | 1.3 | (1,3,1) |
| 30.14 | 2.9655 | 1.2 | (1,3,-1) |
| 30.31 | 2.9491 | 12.8 | (0,1,4) |
| 31.05 | 2.8806 | 17.9 | (1,2,3) |
| 31.05 | 2.8799 | 18.0 | (1,2,-3) |
| 32.27 | 2.7742 | 15.0 | (1,0,4) |
| 32.28 | 2.7733 | 15.1 | (1,0,-4) |
| 32.72 | 2.7368 | 1.3 | (1,3,2) |
| 32.73 | 2.7363 | 1.4 | (1,3,-2) |
| 32.74 | 2.7351 | 3.9 | (2,2,0) |
| 33.43 | 2.6808 | 1.3 | (1,1,4) |
能量属性
形成能/原子
-0.62235
eV/atom
能量/原子
-26.49559
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-26.4956
eV/atom
体积/原子
25.74
ų
c/a 比
1.9137
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
0.0050
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
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
In · 0.625
元素家族
N/A
溶质分数
0.375
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
In-rich Multi-Component
基质元素
In · 0.625
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-3291513
参考引用
The crystal structure and related material properties of Tb11HoIn20 were obtained from the Materials Project database (MP-ID: mp-3291513, 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_Tb11HoIn20
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42686082
_cell_length_b 10.42060028
_cell_length_c 12.29931950
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.97600925
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb11HoIn20
_chemical_formula_sum 'Tb11 Ho1 In20'
_cell_volume 823.70685021
_cell_formula_units_Z 1
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
Tb Tb0 1 0.34995535 0.75000000 0.05870123 1.0
Tb Tb1 1 0.15040291 0.75000000 0.55861259 1.0
Tb Tb2 1 0.64966209 0.25000000 0.94115851 1.0
Tb Tb3 1 0.89032108 0.49500359 0.14425315 1.0
Tb Tb4 1 0.60988081 0.00527208 0.64399334 1.0
Tb Tb5 1 0.10924479 0.99541229 0.85556860 1.0
Tb Tb6 1 0.39087969 0.50513335 0.35569066 1.0
Tb Tb7 1 0.10924479 0.50458771 0.85556860 1.0
Tb Tb8 1 0.39087969 0.99486665 0.35569066 1.0
Tb Tb9 1 0.89032108 0.00499641 0.14425315 1.0
Tb Tb10 1 0.60988081 0.49472792 0.64399334 1.0
Ho Ho11 1 0.84983508 0.25000000 0.44172852 1.0
In In12 1 0.62052549 0.75000000 0.50631519 1.0
In In13 1 0.88009088 0.75000000 0.00604783 1.0
In In14 1 0.38171329 0.25000000 0.49327618 1.0
In In15 1 0.11948447 0.25000000 0.99418010 1.0
In In16 1 0.65214751 0.75000000 0.24853542 1.0
In In17 1 0.84804103 0.75000000 0.74850310 1.0
In In18 1 0.34780403 0.25000000 0.75126989 1.0
In In19 1 0.15029179 0.25000000 0.25208878 1.0
In In20 1 0.12561737 0.75000000 0.28877690 1.0
In In21 1 0.37348172 0.75000000 0.78842715 1.0
In In22 1 0.87386370 0.25000000 0.71089775 1.0
In In23 1 0.62593861 0.25000000 0.21263328 1.0
In In24 1 0.87517732 0.54445878 0.40205437 1.0
In In25 1 0.62489762 0.95474856 0.90161924 1.0
In In26 1 0.12538743 0.04561130 0.59792275 1.0
In In27 1 0.37478561 0.45460603 0.09832317 1.0
In In28 1 0.12538743 0.45438870 0.59792275 1.0
In In29 1 0.37478561 0.04539397 0.09832317 1.0
In In30 1 0.87517732 0.95554122 0.40205437 1.0
In In31 1 0.62489762 0.54525144 0.90161924 1.0
