Tm10In20Co9
高熵材料 HEA 传统材料 TRAMP-ID: mp-637436 · 空间群: P4/nmm (#129)
基础信息
化学式
Tm10In20Co9
MP-ID
mp-637436
元素数
3
位点数
78
密度
9.6200
g/cm³
体积
1,559.07
ų
晶胞参数 a
13.0883
Å
晶胞参数 b
13.0883
Å
晶胞参数 c
9.1013
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P4/nmm
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tP
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 |
|---|---|---|---|
| 19.51 | 4.5506 | 2.4 | (0,0,2) |
| 21.47 | 4.1389 | 1.4 | (3,1,0) |
| 22.60 | 3.9341 | 4.3 | (3,0,1) |
| 26.43 | 3.3717 | 11.5 | (3,2,1) |
| 28.34 | 3.1493 | 5.8 | (3,0,2) |
| 28.94 | 3.0849 | 3.9 | (3,3,0) |
| 29.00 | 3.0791 | 4.5 | (4,0,1) |
| 29.17 | 3.0619 | 3.9 | (3,1,2) |
| 29.81 | 2.9973 | 4.4 | (4,1,1) |
| 30.60 | 2.9217 | 10.3 | (3,3,1) |
| 31.53 | 2.8378 | 20.3 | (3,2,2) |
| 32.53 | 2.7524 | 3.6 | (2,0,3) |
| 33.74 | 2.6566 | 80.1 | (4,0,2) |
| 34.45 | 2.6035 | 25.9 | (4,1,2) |
| 34.96 | 2.5668 | 7.6 | (5,1,0) |
| 35.14 | 2.5535 | 70.4 | (3,3,2) |
| 35.38 | 2.5371 | 4.5 | (2,2,3) |
| 35.69 | 2.5157 | 100.0 | (4,3,1) |
| 36.06 | 2.4908 | 34.1 | (3,0,3) |
| 36.50 | 2.4615 | 9.9 | (4,2,2) |
| 38.33 | 2.3482 | 1.6 | (5,2,1) |
| 38.68 | 2.3278 | 53.0 | (3,2,3) |
| 38.93 | 2.3137 | 28.9 | (4,4,0) |
| 39.61 | 2.2753 | 6.7 | (0,0,4) |
能量属性
形成能/原子
-0.27958
eV/atom
能量/原子
-4.49008
eV/atom
凸包距离
0.0317
eV/atom
未修正能量
-4.4901
eV/atom
体积/原子
19.99
ų
c/a 比
0.6954
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
0.0756
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000050
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
In · 0.513
元素家族
PostTransition-Noble
溶质分数
0.487
间隙分数
0.000
高熵合金特征
综合指标雷达（归一化）
元素类别占比
混合熵 ΔS/R
1.0298
高熵判据（>1.0 视为高熵）
混合熵 ΔS
8.5620
J/mol·K
Ω 参数
1.1439
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
11.990%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.2482
越小混合越稳定
VEC
6.949
价电子浓度，影响相稳定性
混合焓 ΔH_mix
8.192
kJ/mol 且负值为放热混合
熵归一化
0.9374
固溶体倾向
0
相趋势
IM
传统材料特征
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.453
家族
In-rich Multi-Component
基质元素
In · 0.513
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-637436
参考引用
The crystal structure and related material properties of Tm10In20Co9 were obtained from the Materials Project database (MP-ID: mp-637436, 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_Tm10In20Co9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.08826400
_cell_length_b 13.08826400
_cell_length_c 9.10127000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm10In20Co9
_chemical_formula_sum 'Tm20 In40 Co18'
_cell_volume 1559.07171063
_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
Tm Tm0 1 0.70392800 0.20392800 0.72977700 1.0
Tm Tm1 1 0.20392800 0.29607200 0.27022300 1.0
Tm Tm2 1 0.50000000 0.72485100 0.23131000 1.0
Tm Tm3 1 0.00000000 0.50000000 0.36283200 1.0
Tm Tm4 1 0.00000000 0.50000000 0.83923200 1.0
Tm Tm5 1 0.70392800 0.79607200 0.72977700 1.0
Tm Tm6 1 0.50000000 0.00000000 0.63716800 1.0
Tm Tm7 1 0.50000000 0.00000000 0.16076800 1.0
Tm Tm8 1 0.77514900 0.00000000 0.23131000 1.0
Tm Tm9 1 0.27514900 0.50000000 0.76869000 1.0
Tm Tm10 1 0.72485100 0.50000000 0.76869000 1.0
Tm Tm11 1 0.29607200 0.79607200 0.72977700 1.0
Tm Tm12 1 0.79607200 0.29607200 0.27022300 1.0
Tm Tm13 1 0.29607200 0.20392800 0.72977700 1.0
Tm Tm14 1 0.00000000 0.22485100 0.76869000 1.0
Tm Tm15 1 0.50000000 0.27514900 0.23131000 1.0
Tm Tm16 1 0.00000000 0.77514900 0.76869000 1.0
Tm Tm17 1 0.79607200 0.70392800 0.27022300 1.0
Tm Tm18 1 0.20392800 0.70392800 0.27022300 1.0
Tm Tm19 1 0.22485100 0.00000000 0.23131000 1.0
In In20 1 0.62888100 0.62888100 0.50000000 1.0
In In21 1 0.13081800 0.36918200 0.58984700 1.0
In In22 1 0.61421800 0.50000000 0.23591500 1.0
In In23 1 0.84785800 0.84785800 0.00000000 1.0
In In24 1 0.84785800 0.15214200 0.00000000 1.0
In In25 1 0.37111900 0.37111900 0.50000000 1.0
In In26 1 0.34785800 0.34785800 0.00000000 1.0
In In27 1 0.87111900 0.12888100 0.50000000 1.0
In In28 1 0.88578200 0.00000000 0.76408500 1.0
In In29 1 0.50000000 0.16830000 0.90428800 1.0
In In30 1 0.00000000 0.33170000 0.09571200 1.0
In In31 1 0.63081800 0.13081800 0.41015300 1.0
In In32 1 0.00000000 0.66830000 0.09571200 1.0
In In33 1 0.13081800 0.63081800 0.58984700 1.0
In In34 1 0.65214200 0.65214200 0.00000000 1.0
In In35 1 0.36918200 0.86918200 0.41015300 1.0
In In36 1 0.00000000 0.88578200 0.23591500 1.0
In In37 1 0.86918200 0.36918200 0.58984700 1.0
In In38 1 0.33170000 0.00000000 0.90428800 1.0
In In39 1 0.16830000 0.50000000 0.09571200 1.0
In In40 1 0.12888100 0.87111900 0.50000000 1.0
In In41 1 0.34785800 0.65214200 0.00000000 1.0
In In42 1 0.15214200 0.84785800 0.00000000 1.0
In In43 1 0.86918200 0.63081800 0.58984700 1.0
In In44 1 0.00000000 0.11421800 0.23591500 1.0
In In45 1 0.63081800 0.86918200 0.41015300 1.0
In In46 1 0.50000000 0.38578200 0.76408500 1.0
In In47 1 0.83170000 0.50000000 0.09571200 1.0
In In48 1 0.87111900 0.87111900 0.50000000 1.0
In In49 1 0.66830000 0.00000000 0.90428800 1.0
In In50 1 0.12888100 0.12888100 0.50000000 1.0
In In51 1 0.36918200 0.13081800 0.41015300 1.0
In In52 1 0.11421800 0.00000000 0.76408500 1.0
In In53 1 0.62888100 0.37111900 0.50000000 1.0
In In54 1 0.15214200 0.15214200 0.00000000 1.0
In In55 1 0.50000000 0.61421800 0.76408500 1.0
In In56 1 0.65214200 0.34785800 0.00000000 1.0
In In57 1 0.38578200 0.50000000 0.23591500 1.0
In In58 1 0.37111900 0.62888100 0.50000000 1.0
In In59 1 0.50000000 0.83170000 0.90428800 1.0
Co Co60 1 0.15789400 0.34210600 0.89646400 1.0
Co Co61 1 0.77525700 0.50000000 0.40616600 1.0
Co Co62 1 0.50000000 0.77525700 0.59383400 1.0
Co Co63 1 0.00000000 0.72474300 0.40616600 1.0
Co Co64 1 0.72474300 0.00000000 0.59383400 1.0
Co Co65 1 0.34210600 0.15789400 0.10353600 1.0
Co Co66 1 0.34210600 0.84210600 0.10353600 1.0
Co Co67 1 0.00000000 0.27525700 0.40616600 1.0
Co Co68 1 0.84210600 0.65789400 0.89646400 1.0
Co Co69 1 0.65789400 0.84210600 0.10353600 1.0
Co Co70 1 0.50000000 0.50000000 0.00000000 1.0
Co Co71 1 0.22474300 0.50000000 0.40616600 1.0
Co Co72 1 0.65789400 0.15789400 0.10353600 1.0
Co Co73 1 0.84210600 0.34210600 0.89646400 1.0
Co Co74 1 0.27525700 0.00000000 0.59383400 1.0
Co Co75 1 0.00000000 0.00000000 0.00000000 1.0
Co Co76 1 0.15789400 0.65789400 0.89646400 1.0
Co Co77 1 0.50000000 0.22474300 0.59383400 1.0
