基础信息
化学式
Ho9Tm3In20
MP-ID
mp-3313493
元素数
3
位点数
32
密度
8.8481
g/cm³
体积
804.65
ų
晶胞参数 a
6.3784
Å
晶胞参数 b
10.3498
Å
晶胞参数 c
12.1889
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 |
|---|---|---|---|
| 23.31 | 3.8168 | 1.9 | (1,2,1) |
| 23.31 | 3.8163 | 1.9 | (1,2,-1) |
| 26.00 | 3.4274 | 1.2 | (1,0,3) |
| 26.01 | 3.4262 | 1.2 | (1,0,-3) |
| 26.57 | 3.3553 | 3.3 | (1,2,2) |
| 26.57 | 3.3546 | 3.4 | (1,2,-2) |
| 28.94 | 3.0856 | 6.0 | (2,0,1) |
| 28.94 | 3.0850 | 5.9 | (2,0,-1) |
| 29.31 | 3.0472 | 2.5 | (0,0,4) |
| 29.43 | 3.0345 | 5.0 | (1,3,0) |
| 29.76 | 3.0023 | 16.4 | (0,3,2) |
| 30.22 | 2.9570 | 11.9 | (2,1,1) |
| 30.23 | 2.9565 | 11.8 | (2,1,-1) |
| 30.35 | 2.9448 | 1.1 | (1,3,1) |
| 30.36 | 2.9445 | 1.1 | (1,3,-1) |
| 30.58 | 2.9232 | 11.4 | (0,1,4) |
| 31.30 | 2.8575 | 15.3 | (1,2,3) |
| 31.31 | 2.8568 | 15.5 | (1,2,-3) |
| 32.56 | 2.7500 | 13.4 | (1,0,4) |
| 32.57 | 2.7492 | 13.5 | (1,0,-4) |
| 32.97 | 2.7166 | 1.2 | (1,3,2) |
| 32.98 | 2.7162 | 1.4 | (1,3,-2) |
| 32.99 | 2.7150 | 4.0 | (2,2,0) |
| 33.82 | 2.6503 | 46.8 | (2,2,1) |
能量属性
形成能/原子
-0.57814
eV/atom
能量/原子
-27.23023
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-27.2302
eV/atom
体积/原子
25.15
ų
c/a 比
1.9110
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
0.0079
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
0.529
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-3313493
参考引用
The crystal structure and related material properties of Ho9Tm3In20 were obtained from the Materials Project database (MP-ID: mp-3313493, 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_Ho9Tm3In20
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37837435
_cell_length_b 10.34983369
_cell_length_c 12.18893425
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.97859407
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho9Tm3In20
_chemical_formula_sum 'Ho9 Tm3 In20'
_cell_volume 804.65382446
_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
Ho Ho0 1 0.85016897 0.75000000 0.05565763 1.0
Ho Ho1 1 0.89138460 0.50558381 0.35708766 1.0
Ho Ho2 1 0.60833531 0.99480757 0.85682638 1.0
Ho Ho3 1 0.10907192 0.00586593 0.64272166 1.0
Ho Ho4 1 0.39082470 0.49471833 0.14277546 1.0
Ho Ho5 1 0.10907192 0.49413407 0.64272166 1.0
Ho Ho6 1 0.39082470 0.00528167 0.14277546 1.0
Ho Ho7 1 0.89138460 0.99441619 0.35708766 1.0
Ho Ho8 1 0.60833531 0.50519243 0.85682638 1.0
Tm Tm9 1 0.65040271 0.75000000 0.55501677 1.0
Tm Tm10 1 0.14968647 0.25000000 0.94479755 1.0
Tm Tm11 1 0.35006087 0.25000000 0.44503348 1.0
In In12 1 0.87526428 0.04445548 0.09951361 1.0
In In13 1 0.62473926 0.45631778 0.59927190 1.0
In In14 1 0.12411066 0.54338027 0.90027951 1.0
In In15 1 0.37561571 0.95654521 0.40080303 1.0
In In16 1 0.12411066 0.95661973 0.90027951 1.0
In In17 1 0.37561571 0.54345479 0.40080303 1.0
In In18 1 0.87526428 0.45554452 0.09951361 1.0
In In19 1 0.62473926 0.04368222 0.59927190 1.0
In In20 1 0.15137610 0.75000000 0.24692620 1.0
In In21 1 0.35091395 0.75000000 0.74607713 1.0
In In22 1 0.85061620 0.25000000 0.75368197 1.0
In In23 1 0.64916981 0.25000000 0.25370987 1.0
In In24 1 0.38030397 0.75000000 0.00553728 1.0
In In25 1 0.11848143 0.75000000 0.50670047 1.0
In In26 1 0.61725606 0.25000000 0.99389842 1.0
In In27 1 0.88205173 0.25000000 0.49360846 1.0
In In28 1 0.62903277 0.75000000 0.28672048 1.0
In In29 1 0.87118821 0.75000000 0.78507009 1.0
In In30 1 0.37151573 0.25000000 0.71438601 1.0
In In31 1 0.12907817 0.25000000 0.21461877 1.0
