Ho10In20Ni9
高熵材料 HEA 传统材料 TRAMP-ID: mp-30729 · 空间群: P4/nmm (#129)
基础信息
化学式
Ho10In20Ni9
MP-ID
mp-30729
元素数
3
位点数
78
密度
9.2519
g/cm³
体积
1,605.96
ų
晶胞参数 a
13.2839
Å
晶胞参数 b
13.2839
Å
晶胞参数 c
9.1009
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
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 |
|---|---|---|---|
| 19.51 | 4.5505 | 1.4 | (0,0,2) |
| 21.15 | 4.2007 | 1.2 | (3,1,0) |
| 22.33 | 3.9817 | 3.4 | (3,0,1) |
| 26.09 | 3.4151 | 10.4 | (3,2,1) |
| 28.12 | 3.1735 | 5.2 | (3,0,2) |
| 28.51 | 3.1310 | 3.8 | (3,3,0) |
| 28.61 | 3.1198 | 4.2 | (4,0,1) |
| 28.93 | 3.0866 | 2.9 | (3,1,2) |
| 29.41 | 3.0371 | 4.1 | (4,1,1) |
| 30.19 | 2.9607 | 10.5 | (3,3,1) |
| 31.24 | 2.8634 | 17.2 | (3,2,2) |
| 32.45 | 2.7594 | 3.3 | (2,0,3) |
| 33.40 | 2.6826 | 74.4 | (4,0,2) |
| 34.10 | 2.6295 | 24.7 | (4,1,2) |
| 34.43 | 2.6052 | 6.2 | (5,1,0) |
| 34.78 | 2.5794 | 77.5 | (3,3,2) |
| 35.19 | 2.5503 | 100.0 | (5,0,1) |
| 35.22 | 2.5483 | 4.0 | (2,2,3) |
| 35.88 | 2.5026 | 35.0 | (3,0,3) |
| 36.11 | 2.4873 | 10.0 | (4,2,2) |
| 37.79 | 2.3809 | 1.4 | (5,2,1) |
| 38.33 | 2.3483 | 27.0 | (4,4,0) |
| 38.44 | 2.3419 | 51.9 | (3,2,3) |
| 39.27 | 2.2944 | 14.7 | (4,3,2) |
能量属性
形成能/原子
-0.41769
eV/atom
能量/原子
-4.34542
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-23.2934
eV/atom
体积/原子
20.59
ų
c/a 比
0.6851
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
0.0000
μB
磁有序
NM
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
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
0.8746
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
12.269%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.2629
越小混合越稳定
VEC
6.667
价电子浓度，影响相稳定性
混合焓 ΔH_mix
-10.414
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
0.474
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-30729
参考引用
The crystal structure and related material properties of Ho10In20Ni9 were obtained from the Materials Project database (MP-ID: mp-30729, 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_Ho10In20Ni9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.28388074
_cell_length_b 13.28388074
_cell_length_c 9.10091797
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho10In20Ni9
_chemical_formula_sum 'Ho20 In40 Ni18'
_cell_volume 1605.96152273
_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 -0.00000000 0.50000000 0.36265271 1.0
Ho Ho1 1 0.50000000 0.00000000 0.63734729 1.0
Ho Ho2 1 -0.00000000 0.50000000 0.83490223 1.0
Ho Ho3 1 0.50000000 0.00000000 0.16509777 1.0
Ho Ho4 1 0.27680043 0.50000000 0.76792351 1.0
Ho Ho5 1 -0.00000000 0.22319957 0.76792351 1.0
Ho Ho6 1 -0.00000000 0.77680043 0.76792351 1.0
Ho Ho7 1 0.72319957 0.50000000 0.76792351 1.0
Ho Ho8 1 0.22319957 0.00000000 0.23207649 1.0
Ho Ho9 1 0.77680043 0.00000000 0.23207649 1.0
Ho Ho10 1 0.50000000 0.27680043 0.23207649 1.0
Ho Ho11 1 0.50000000 0.72319957 0.23207649 1.0
Ho Ho12 1 0.20332708 0.70332708 0.26828838 1.0
Ho Ho13 1 0.20332708 0.29667292 0.26828838 1.0
Ho Ho14 1 0.79667292 0.70332708 0.26828838 1.0
Ho Ho15 1 0.79667292 0.29667292 0.26828838 1.0
Ho Ho16 1 0.29667292 0.20332708 0.73171162 1.0
Ho Ho17 1 0.70332708 0.79667292 0.73171162 1.0
Ho Ho18 1 0.70332708 0.20332708 0.73171162 1.0
Ho Ho19 1 0.29667292 0.79667292 0.73171162 1.0
In In20 1 0.84472189 0.84472189 -0.00000000 1.0
In In21 1 0.34472189 0.65527811 -0.00000000 1.0
In In22 1 0.65527811 0.34472189 -0.00000000 1.0
In In23 1 0.15527811 0.15527811 -0.00000000 1.0
In In24 1 0.65527811 0.65527811 -0.00000000 1.0
In In25 1 0.15527811 0.84472189 -0.00000000 1.0
In In26 1 0.84472189 0.15527811 -0.00000000 1.0
In In27 1 0.34472189 0.34472189 -0.00000000 1.0
In In28 1 0.36983998 0.36983998 0.50000000 1.0
In In29 1 0.86983998 0.13016002 0.50000000 1.0
In In30 1 0.13016002 0.86983998 0.50000000 1.0
In In31 1 0.63016002 0.63016002 0.50000000 1.0
In In32 1 0.13016002 0.13016002 0.50000000 1.0
In In33 1 0.63016002 0.36983998 0.50000000 1.0
In In34 1 0.36983998 0.63016002 0.50000000 1.0
In In35 1 0.86983998 0.86983998 0.50000000 1.0
In In36 1 0.83340681 0.50000000 0.09208340 1.0
In In37 1 -0.00000000 0.66659319 0.09208340 1.0
In In38 1 -0.00000000 0.33340681 0.09208340 1.0
In In39 1 0.16659319 0.50000000 0.09208340 1.0
In In40 1 0.66659319 0.00000000 0.90791660 1.0
In In41 1 0.33340681 0.00000000 0.90791660 1.0
In In42 1 0.50000000 0.83340681 0.90791660 1.0
In In43 1 0.50000000 0.16659319 0.90791660 1.0
In In44 1 0.61639517 0.50000000 0.23398273 1.0
In In45 1 -0.00000000 0.88360483 0.23398273 1.0
In In46 1 -0.00000000 0.11639517 0.23398273 1.0
In In47 1 0.38360483 0.50000000 0.23398273 1.0
In In48 1 0.88360483 0.00000000 0.76601727 1.0
In In49 1 0.11639517 0.00000000 0.76601727 1.0
In In50 1 0.50000000 0.61639517 0.76601727 1.0
In In51 1 0.50000000 0.38360483 0.76601727 1.0
In In52 1 0.13206571 0.63206571 0.58958657 1.0
In In53 1 0.13206571 0.36793429 0.58958657 1.0
In In54 1 0.86793429 0.63206571 0.58958657 1.0
In In55 1 0.86793429 0.36793429 0.58958657 1.0
In In56 1 0.36793429 0.13206571 0.41041343 1.0
In In57 1 0.63206571 0.86793429 0.41041343 1.0
In In58 1 0.63206571 0.13206571 0.41041343 1.0
In In59 1 0.36793429 0.86793429 0.41041343 1.0
Ni Ni60 1 0.50000000 0.50000000 -0.00000000 1.0
Ni Ni61 1 -0.00000000 0.00000000 -0.00000000 1.0
Ni Ni62 1 0.77618052 0.50000000 0.40991251 1.0
Ni Ni63 1 -0.00000000 0.72381948 0.40991251 1.0
Ni Ni64 1 -0.00000000 0.27618052 0.40991251 1.0
Ni Ni65 1 0.22381948 0.50000000 0.40991251 1.0
Ni Ni66 1 0.72381948 0.00000000 0.59008749 1.0
Ni Ni67 1 0.27618052 0.00000000 0.59008749 1.0
Ni Ni68 1 0.50000000 0.77618052 0.59008749 1.0
Ni Ni69 1 0.50000000 0.22381948 0.59008749 1.0
Ni Ni70 1 0.34467059 0.84467059 0.10406114 1.0
Ni Ni71 1 0.34467059 0.15532941 0.10406114 1.0
Ni Ni72 1 0.65532941 0.84467059 0.10406114 1.0
Ni Ni73 1 0.65532941 0.15532941 0.10406114 1.0
Ni Ni74 1 0.15532941 0.34467059 0.89593886 1.0
Ni Ni75 1 0.84467059 0.65532941 0.89593886 1.0
Ni Ni76 1 0.84467059 0.34467059 0.89593886 1.0
Ni Ni77 1 0.15532941 0.65532941 0.89593886 1.0
