基础信息
化学式
Sc15(In5Rh2)4
MP-ID
mp-1221266
元素数
3
位点数
86
密度
6.8672
g/cm³
体积
1,834.81
ų
晶胞参数 a
7.1129
Å
晶胞参数 b
7.7122
Å
晶胞参数 c
33.6630
Å
α 角
83.51
°
β 角
90.00
°
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
-
能量属性
形成能/原子
-0.59789
eV/atom
能量/原子
-5.46033
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-5.4603
eV/atom
体积/原子
21.33
ų
c/a 比
4.7327
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
0.0111
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 · 0.465
元素家族
PostTransition-Noble
溶质分数
0.535
间隙分数
0.000
综合指标雷达（归一化）
元素类别占比
混合熵 ΔS/R
1.0363
高熵判据（>1.0 视为高熵）
混合熵 ΔS
8.6158
J/mol·K
Ω 参数
0.5320
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
7.676%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.3243
越小混合越稳定
VEC
4.116
价电子浓度，影响相稳定性
混合焓 ΔH_mix
-20.226
kJ/mol 且负值为放热混合
熵归一化
0.9433
固溶体倾向
0
相趋势
AM
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-1221266
参考引用
The crystal structure and related material properties of Sc15(In5Rh2)4 were obtained from the Materials Project database (MP-ID: mp-1221266, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Sc15(In5Rh2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11293000
_cell_length_b 7.71221900
_cell_length_c 33.66303177
_cell_angle_alpha 83.51118161
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc15(In5Rh2)4
_chemical_formula_sum 'Sc30 In40 Rh16'
_cell_volume 1834.80554714
_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
Sc Sc0 1 0.00000000 0.01822400 0.19241400 1.0
Sc Sc1 1 0.00000000 0.41753800 0.39213400 1.0
Sc Sc2 1 0.00000000 0.81778200 0.59206400 1.0
Sc Sc3 1 0.00000000 0.21625200 0.79237200 1.0
Sc Sc4 1 0.00000000 0.60913600 0.99203300 1.0
Sc Sc5 1 0.00000000 0.13010000 0.08336500 1.0
Sc Sc6 1 0.00000000 0.52150700 0.28105000 1.0
Sc Sc7 1 0.00000000 0.92270200 0.48117400 1.0
Sc Sc8 1 0.00000000 0.32225500 0.68104700 1.0
Sc Sc9 1 0.00000000 0.72336200 0.88090100 1.0
Sc Sc10 1 0.00000000 0.65874900 0.12656600 1.0
Sc Sc11 1 0.00000000 0.06037500 0.32688600 1.0
Sc Sc12 1 0.00000000 0.46092900 0.52693700 1.0
Sc Sc13 1 0.00000000 0.85993600 0.72692600 1.0
Sc Sc14 1 0.00000000 0.26566300 0.92492300 1.0
Sc Sc15 1 0.50000000 0.98564100 0.19066200 1.0
Sc Sc16 1 0.50000000 0.38555300 0.39019100 1.0
Sc Sc17 1 0.50000000 0.78545400 0.59024600 1.0
Sc Sc18 1 0.50000000 0.18518000 0.78996300 1.0
Sc Sc19 1 0.50000000 0.60886400 0.99176500 1.0
Sc Sc20 1 0.50000000 0.12599800 0.08489100 1.0
Sc Sc21 1 0.50000000 0.52991100 0.28886900 1.0
Sc Sc22 1 0.50000000 0.92998200 0.48866800 1.0
Sc Sc23 1 0.50000000 0.33015100 0.68857500 1.0
Sc Sc24 1 0.50000000 0.73033400 0.88734400 1.0
Sc Sc25 1 0.50000000 0.68333600 0.12193700 1.0
Sc Sc26 1 0.50000000 0.08418200 0.32062900 1.0
Sc Sc27 1 0.50000000 0.48455800 0.52057700 1.0
Sc Sc28 1 0.50000000 0.88432300 0.72047100 1.0
Sc Sc29 1 0.50000000 0.26826500 0.92373600 1.0
In In30 1 0.74782100 0.26579000 0.00049100 1.0
In In31 1 0.73044300 0.65093900 0.20056100 1.0
In In32 1 0.72916600 0.05088600 0.40042000 1.0
In In33 1 0.72887100 0.45074500 0.60043100 1.0
In In34 1 0.73031600 0.85071000 0.80021700 1.0
In In35 1 0.72840900 0.29888000 0.14960400 1.0
In In36 1 0.73035300 0.70082600 0.34959400 1.0
In In37 1 0.72980400 0.10092600 0.54953700 1.0
In In38 1 0.73059800 0.50041300 0.74970400 1.0
In In39 1 0.75177400 0.89669600 0.94623300 1.0
In In40 1 0.75226700 0.84127200 0.05315100 1.0
In In41 1 0.72888900 0.24942000 0.25013800 1.0
In In42 1 0.72903500 0.64971200 0.45006000 1.0
In In43 1 0.72913900 0.04959900 0.65003800 1.0
In In44 1 0.72877700 0.44886900 0.85061600 1.0
In In45 1 0.25217900 0.26579000 0.00049100 1.0
In In46 1 0.26955700 0.65093900 0.20056100 1.0
In In47 1 0.27083400 0.05088600 0.40042000 1.0
In In48 1 0.27112900 0.45074500 0.60043100 1.0
In In49 1 0.26968400 0.85071000 0.80021700 1.0
In In50 1 0.27159100 0.29888000 0.14960400 1.0
In In51 1 0.26964700 0.70082600 0.34959400 1.0
In In52 1 0.27019600 0.10092600 0.54953700 1.0
In In53 1 0.26940200 0.50041300 0.74970400 1.0
In In54 1 0.24822600 0.89669600 0.94623300 1.0
In In55 1 0.24773300 0.84127200 0.05315100 1.0
In In56 1 0.27111100 0.24942000 0.25013800 1.0
In In57 1 0.27096500 0.64971200 0.45006000 1.0
In In58 1 0.27086100 0.04959900 0.65003800 1.0
In In59 1 0.27122300 0.44886900 0.85061600 1.0
In In60 1 0.75096300 0.46526300 0.06764500 1.0
In In61 1 0.76449100 0.86608100 0.26671000 1.0
In In62 1 0.76418100 0.26655300 0.46661300 1.0
In In63 1 0.76493700 0.66636700 0.66657600 1.0
In In64 1 0.75834700 0.06869800 0.86551200 1.0
In In65 1 0.24903700 0.46526300 0.06764500 1.0
In In66 1 0.23550900 0.86608100 0.26671000 1.0
In In67 1 0.23581900 0.26655300 0.46661300 1.0
In In68 1 0.23506300 0.66636700 0.66657600 1.0
In In69 1 0.24165300 0.06869800 0.86551200 1.0
Rh Rh70 1 0.75998900 0.93256500 0.13361100 1.0
Rh Rh71 1 0.76179200 0.33247900 0.33327300 1.0
Rh Rh72 1 0.76164600 0.73252400 0.53330400 1.0
Rh Rh73 1 0.76171200 0.13218200 0.73306700 1.0
Rh Rh74 1 0.75410100 0.53215000 0.93349500 1.0
Rh Rh75 1 0.24001100 0.93256500 0.13361100 1.0
Rh Rh76 1 0.23820800 0.33247900 0.33327300 1.0
Rh Rh77 1 0.23835400 0.73252400 0.53330400 1.0
Rh Rh78 1 0.23828800 0.13218200 0.73306700 1.0
Rh Rh79 1 0.24589900 0.53215000 0.93349500 1.0
Rh Rh80 1 0.00000000 0.99995400 0.99965000 1.0
Rh Rh81 1 0.00000000 0.39787700 0.20002400 1.0
Rh Rh82 1 0.00000000 0.79951200 0.40002900 1.0
Rh Rh83 1 0.00000000 0.19937800 0.59985200 1.0
Rh Rh84 1 0.00000000 0.59852000 0.80016000 1.0
Rh Rh85 1 0.50000000 0.99742900 0.99976400 1.0