基础信息
化学式
La3Sn13Rh4
MP-ID
mp-640274
元素数
3
位点数
160
密度
8.1809
g/cm³
体积
3,851.03
ų
晶胞参数 a
17.1028
Å
晶胞参数 b
17.1028
Å
晶胞参数 c
17.1028
Å
α 角
109.47
°
β 角
109.47
°
γ 角
109.47
°
空间群
I4_132
点群
432
晶体系统
Cubic
Bravais 格子
cI
稳定性
Yes
堆积分数
0.6802
能量属性
形成能/原子
-0.61115
eV/atom
能量/原子
-5.43064
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-5.4306
eV/atom
体积/原子
24.07
ų
c/a 比
1.0000
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
0.0045
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
元素组成（原子分数）
组成信息
主元 / 基质元素
Sn · 0.650
元素家族
PostTransition-Noble
溶质分数
0.350
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
0.8865
高熵判据（>1.0 视为高熵）
混合熵 ΔS
7.3701
J/mol·K
Ω 参数
0.5654
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
11.922%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.3566
越小混合越稳定
VEC
4.850
价电子浓度，影响相稳定性
混合焓 ΔH_mix
-12.444
kJ/mol 且负值为放热混合
熵归一化
0.8069
固溶体倾向
0
相趋势
IM
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-640274
参考引用
The crystal structure and related material properties of La3Sn13Rh4 were obtained from the Materials Project database (MP-ID: mp-640274, 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_La3Sn13Rh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.10275508
_cell_length_b 17.10275515
_cell_length_c 17.10275516
_cell_angle_alpha 109.47122066
_cell_angle_beta 109.47122075
_cell_angle_gamma 109.47122042
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3Sn13Rh4
_chemical_formula_sum 'La24 Sn104 Rh32'
_cell_volume 3851.02504280
_cell_formula_units_Z 8
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
La La0 1 0.87558613 0.62441387 0.75000000 1.0
La La1 1 0.12510507 0.37489493 0.25000000 1.0
La La2 1 0.12558613 0.75000000 0.37441387 1.0
La La3 1 0.75000000 0.37441387 0.12558613 1.0
La La4 1 0.37489493 0.25000000 0.12510507 1.0
La La5 1 0.25021013 0.87510507 0.12510507 1.0
La La6 1 0.12510507 0.25021013 0.87510507 1.0
La La7 1 0.37441387 0.12558613 0.75000000 1.0
La La8 1 0.87510507 0.25000000 0.62489493 1.0
La La9 1 0.75117225 0.12558613 0.87558613 1.0
La La10 1 0.62489493 0.24978987 0.37489493 1.0
La La11 1 0.62441387 0.37441387 0.74882775 1.0
La La12 1 0.12558613 0.87558613 0.75117225 1.0
La La13 1 0.62441387 0.75000000 0.87558613 1.0
La La14 1 0.25000000 0.12510507 0.37489493 1.0
La La15 1 0.37441387 0.74882775 0.62441387 1.0
La La16 1 0.62489493 0.87510507 0.25000000 1.0
La La17 1 0.87558613 0.75117225 0.12558613 1.0
La La18 1 0.87510507 0.12510507 0.25021013 1.0
La La19 1 0.74882775 0.62441387 0.37441387 1.0
La La20 1 0.25000000 0.62489493 0.87510507 1.0
La La21 1 0.24978987 0.37489493 0.62489493 1.0
La La22 1 0.75000000 0.87558613 0.62441387 1.0
La La23 1 0.37489493 0.62489493 0.24978987 1.0
Sn Sn24 1 0.42338988 0.07643502 0.34645805 1.0
Sn Sn25 1 0.07643502 0.22997697 0.65304514 1.0
Sn Sn26 1 0.00177008 0.50000000 0.00000000 1.0
Sn Sn27 1 0.57755419 0.34605739 0.92320935 1.0
Sn Sn28 1 0.93068344 0.07410564 0.85653586 1.0
Sn Sn29 1 0.92320935 0.57755419 0.34605739 1.0
Sn Sn30 1 0.64346414 0.71756978 0.07414759 1.0
Sn Sn31 1 0.07977642 0.92128786 0.15872215 1.0
Sn Sn32 1 0.26256571 0.84151144 0.92128786 1.0
Sn Sn33 1 0.84151144 0.92128786 0.26256571 1.0
Sn Sn34 1 0.65848856 0.23743429 0.57871214 1.0
Sn Sn35 1 0.64346414 0.42589436 0.56931656 1.0
Sn Sn36 1 0.35657780 0.78243022 0.42589436 1.0
Sn Sn37 1 0.65434484 0.57679065 0.92284804 1.0
Sn Sn38 1 0.57871214 0.65848856 0.23743429 1.0
Sn Sn39 1 0.84695486 0.07693183 0.42338988 1.0
Sn Sn40 1 0.57871214 0.42022358 0.34127785 1.0
Sn Sn41 1 0.22997697 0.65304514 0.07643502 1.0
Sn Sn42 1 0.85653586 0.42585241 0.78243022 1.0
Sn Sn43 1 0.07643502 0.34645805 0.42338988 1.0
Sn Sn44 1 0.07693183 0.42338988 0.84695486 1.0
Sn Sn45 1 0.93068344 0.35657780 0.07414759 1.0
Sn Sn46 1 0.85653586 0.93068344 0.07410564 1.0
Sn Sn47 1 0.71756978 0.07414759 0.64346414 1.0
Sn Sn48 1 0.92128786 0.26256571 0.84151144 1.0
Sn Sn49 1 0.71756978 0.14342220 0.07410564 1.0
Sn Sn50 1 0.57894573 0.84151144 0.42022358 1.0
Sn Sn51 1 0.22997697 0.07693183 0.15354195 1.0
Sn Sn52 1 0.42022358 0.57894573 0.84151144 1.0
Sn Sn53 1 0.35657780 0.07414759 0.93068344 1.0
Sn Sn54 1 0.92128786 0.15872215 0.07977642 1.0
Sn Sn55 1 0.92320935 0.84565516 0.57715196 1.0
Sn Sn56 1 0.07410564 0.85653586 0.93068344 1.0
Sn Sn57 1 0.42306817 0.65304514 0.07661012 1.0
Sn Sn58 1 0.14342220 0.56931656 0.42585241 1.0
Sn Sn59 1 0.23743429 0.15872215 0.57894573 1.0
Sn Sn60 1 0.57755419 0.73149680 0.65434484 1.0
Sn Sn61 1 0.49822992 0.50000000 1.00000000 1.0
Sn Sn62 1 0.57894573 0.23743429 0.15872215 1.0
Sn Sn63 1 0.84565516 0.76850320 0.92244581 1.0
Sn Sn64 1 0.07414759 0.64346414 0.71756978 1.0
Sn Sn65 1 0.15394261 0.92244581 0.57679065 1.0
Sn Sn66 1 0.49822992 0.49822992 0.49822992 1.0
Sn Sn67 1 0.73149680 0.57715196 0.15394261 1.0
Sn Sn68 1 0.65434484 0.57755419 0.73149680 1.0
Sn Sn69 1 0.57715196 0.92320935 0.84565516 1.0
Sn Sn70 1 0.92105427 0.07977642 0.65848856 1.0
Sn Sn71 1 0.56931656 0.64346414 0.42589436 1.0
Sn Sn72 1 0.92284804 0.76850320 0.34605739 1.0
Sn Sn73 1 0.56931656 0.42585241 0.14342220 1.0
Sn Sn74 1 0.15394261 0.73149680 0.57715196 1.0
Sn Sn75 1 0.42589436 0.56931656 0.64346414 1.0
Sn Sn76 1 0.84695486 0.27002303 0.42356498 1.0
Sn Sn77 1 0.42585241 0.78243022 0.85653586 1.0
Sn Sn78 1 0.34645805 0.42338988 0.07643502 1.0
Sn Sn79 1 0.78243022 0.42589436 0.35657780 1.0
Sn Sn80 1 0.84565516 0.57715196 0.92320935 1.0
Sn Sn81 1 0.07410564 0.71756978 0.14342220 1.0
Sn Sn82 1 0.15354195 0.22997697 0.07693183 1.0
Sn Sn83 1 0.23743429 0.57871214 0.65848856 1.0
Sn Sn84 1 0.65848856 0.92105427 0.07977642 1.0
Sn Sn85 1 0.34605739 0.92284804 0.76850320 1.0
Sn Sn86 1 0.50000000 0.00000000 0.49822992 1.0
Sn Sn87 1 0.42338988 0.84695486 0.07693183 1.0
Sn Sn88 1 0.92244581 0.84565516 0.76850320 1.0
Sn Sn89 1 0.34605739 0.92320935 0.57755419 1.0
Sn Sn90 1 0.65304514 0.07643502 0.22997697 1.0
Sn Sn91 1 0.15354195 0.42356498 0.07661012 1.0
Sn Sn92 1 0.15872215 0.07977642 0.92128786 1.0
Sn Sn93 1 0.57679065 0.92284804 0.65434484 1.0
Sn Sn94 1 0.00177008 0.00177008 0.00177008 1.0
Sn Sn95 1 0.78243022 0.85653586 0.42585241 1.0
Sn Sn96 1 0.76850320 0.92244581 0.84565516 1.0
Sn Sn97 1 0.92105427 0.34127785 0.26256571 1.0
Sn Sn98 1 0.42589436 0.35657780 0.78243022 1.0
Sn Sn99 1 0.34127785 0.57871214 0.42022358 1.0
Sn Sn100 1 0.07661012 0.15354195 0.42356498 1.0
Sn Sn101 1 0.00000000 0.49822992 0.50000000 1.0
Sn Sn102 1 0.07414759 0.93068344 0.35657780 1.0
Sn Sn103 1 0.42022358 0.34127785 0.57871214 1.0
Sn Sn104 1 0.65304514 0.07661012 0.42306817 1.0
Sn Sn105 1 0.42356498 0.07661012 0.15354195 1.0
Sn Sn106 1 0.27002303 0.42356498 0.84695486 1.0
Sn Sn107 1 0.34127785 0.26256571 0.92105427 1.0
Sn Sn108 1 0.50000000 0.00000000 0.00177008 1.0
Sn Sn109 1 0.26256571 0.92105427 0.34127785 1.0
Sn Sn110 1 0.57715196 0.15394261 0.73149680 1.0
Sn Sn111 1 0.07693183 0.15354195 0.22997697 1.0
Sn Sn112 1 0.27002303 0.34645805 0.42306817 1.0
Sn Sn113 1 0.14342220 0.07410564 0.71756978 1.0
Sn Sn114 1 0.57679065 0.15394261 0.92244581 1.0
Sn Sn115 1 1.00000000 0.00177008 0.50000000 1.0
Sn Sn116 1 0.92244581 0.57679065 0.15394261 1.0
Sn Sn117 1 0.92284804 0.65434484 0.57679065 1.0
Sn Sn118 1 0.07661012 0.42306817 0.65304514 1.0
Sn Sn119 1 0.34645805 0.42306817 0.27002303 1.0
Sn Sn120 1 0.76850320 0.34605739 0.92284804 1.0
Sn Sn121 1 0.42356498 0.84695486 0.27002303 1.0
Sn Sn122 1 0.42585241 0.14342220 0.56931656 1.0
Sn Sn123 1 0.42306817 0.27002303 0.34645805 1.0
Sn Sn124 1 0.84151144 0.42022358 0.57894573 1.0
Sn Sn125 1 0.15872215 0.57894573 0.23743429 1.0
Sn Sn126 1 0.07977642 0.65848856 0.92105427 1.0
Sn Sn127 1 0.73149680 0.65434484 0.57755419 1.0
Rh Rh128 1 0.50024783 0.75024783 0.50049567 1.0
Rh Rh129 1 0.24982775 0.49965550 0.49982775 1.0
Rh Rh130 1 0.49965550 0.49982775 0.24982775 1.0
Rh Rh131 1 0.75024783 0.50049567 0.50024783 1.0
Rh Rh132 1 0.00034450 0.25017225 0.00017225 1.0
Rh Rh133 1 0.50000000 0.00000000 0.75000000 1.0
Rh Rh134 1 0.25000000 0.75024783 0.74975217 1.0
Rh Rh135 1 0.74975217 0.99975217 0.99950433 1.0
Rh Rh136 1 0.00017225 0.49982775 0.75000000 1.0
Rh Rh137 1 0.25000000 0.25000000 0.25000000 1.0
Rh Rh138 1 0.25000000 0.50000000 0.00000000 1.0
Rh Rh139 1 0.74975217 0.25000000 0.75024783 1.0
Rh Rh140 1 0.99975217 0.99950433 0.74975217 1.0
Rh Rh141 1 0.50000000 0.00000000 0.25000000 1.0
Rh Rh142 1 0.00017225 0.00034450 0.25017225 1.0
Rh Rh143 1 0.00000000 0.25000000 0.50000000 1.0
Rh Rh144 1 0.25017225 0.00017225 0.00034450 1.0
Rh Rh145 1 0.49982775 0.75000000 0.00017225 1.0
Rh Rh146 1 0.75000000 0.24982775 0.25017225 1.0
Rh Rh147 1 0.49982775 0.24982775 0.49965550 1.0
Rh Rh148 1 0.75024783 0.74975217 0.25000000 1.0
Rh Rh149 1 0.50024783 0.25000000 0.99975217 1.0
Rh Rh150 1 0.75000000 0.75000000 0.75000000 1.0
Rh Rh151 1 0.50049567 0.50024783 0.75024783 1.0
Rh Rh152 1 0.00000000 0.75000000 0.50000000 1.0
Rh Rh153 1 0.25017225 0.75000000 0.24982775 1.0
Rh Rh154 1 0.25000000 0.99975217 0.50024783 1.0
Rh Rh155 1 0.75000000 0.00017225 0.49982775 1.0
Rh Rh156 1 0.99950433 0.74975217 0.99975217 1.0
Rh Rh157 1 0.75000000 0.50000000 0.00000000 1.0
Rh Rh158 1 0.99975217 0.50024783 0.25000000 1.0
Rh Rh159 1 0.24982775 0.25017225 0.75000000 1.0