Sm15(Ga11Ni13)4

高熵材料 HEA 传统材料 TRA

MP-ID: mp-683971 · 空间群: P-6m2 (#187)

Materials Project API

基础信息

化学式

Sm15(Ga11Ni13)4

MP-ID

mp-683971

元素数

位点数

111

密度

8.1317

g/cm³

体积

1,710.28

Å³

晶胞参数 a

8.8819

晶胞参数 b

8.8819

晶胞参数 c

25.0336

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P-6m2

点群

-6m2

晶体系统

Hexagonal

Bravais 格子

稳定性

堆积分数

0.7405

能量属性

形成能/原子

-0.28254

eV/atom

能量/原子

-4.82833

eV/atom

凸包距离

0.2329

eV/atom

未修正能量

-4.8283

eV/atom

体积/原子

15.41

Å³

c/a 比

2.8185

电子属性

金属性

金属

带隙

直接带隙

CBM

N/A

磁性属性

磁性

总磁矩

0.0014

μB

磁有序

磁性位点数

磁化强度/体积

0.000000

μB/Å³

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

Ni · 0.468

元素家族

3d-TM

溶质分数

0.532

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

0.9925

高熵判据（>1.0 视为高熵）

混合熵 ΔS

8.2517

J/mol·K

Ω 参数

0.6173

Ω > 1.1 利于固溶体形成

原子尺寸错配 δr

14.493%

δr < 6.6% 利于单相固溶

电负性差 Δχ

0.2418

越小混合越稳定

VEC

6.685

价电子浓度，影响相稳定性

混合焓 ΔH_mix

-14.856

kJ/mol 且负值为放热混合

熵归一化

0.9034

固溶体倾向

相趋势

关联任务

关联的计算任务 ID（1 个）

aaabmxup

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-683971

参考引用

The crystal structure and related material properties of Sm15(Ga11Ni13)4 were obtained from the Materials Project database (MP-ID: mp-683971, 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 | 拖拽旋转 · 滚轮缩放 · 右键平移

原始 CIF 数据

# generated using pymatgen
data_Sm15(Ga11Ni13)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88192247
_cell_length_b   8.88192263
_cell_length_c   25.03356486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm15(Ga11Ni13)4
_chemical_formula_sum   'Sm15 Ga44 Ni52'
_cell_volume   1710.28031456
_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
  Sm  Sm0  1  0.66666700  0.33333300  0.10235329  1.0
  Sm  Sm1  1  0.33333300  0.66666700  0.58572571  1.0
  Sm  Sm2  1  0.66666700  0.33333300  0.58390303  1.0
  Sm  Sm3  1  0.33333300  0.66666700  0.00000000  1.0
  Sm  Sm4  1  0.33333300  0.66666700  0.73274637  1.0
  Sm  Sm5  1  0.00000000  0.00000000  0.09445198  1.0
  Sm  Sm6  1  0.33333300  0.66666700  0.41427429  1.0
  Sm  Sm7  1  0.66666700  0.33333300  0.72937368  1.0
  Sm  Sm8  1  0.66666700  0.33333300  0.27062632  1.0
  Sm  Sm9  1  0.66666700  0.33333300  0.89764671  1.0
  Sm  Sm10  1  0.66666700  0.33333300  0.41609697  1.0
  Sm  Sm11  1  0.00000000  0.00000000  0.66448158  1.0
  Sm  Sm12  1  0.00000000  0.00000000  0.90554802  1.0
  Sm  Sm13  1  0.00000000  0.00000000  0.33551842  1.0
  Sm  Sm14  1  0.33333300  0.66666700  0.26725363  1.0
  Ga  Ga15  1  0.85353644  0.14646356  0.50000000  1.0
  Ga  Ga16  1  0.54604742  0.45395258  0.00000000  1.0
  Ga  Ga17  1  0.48762559  0.51237441  0.50000000  1.0
  Ga  Ga18  1  0.13282087  0.86717913  0.00000000  1.0
  Ga  Ga19  1  0.48762559  0.97525117  0.50000000  1.0
  Ga  Ga20  1  0.82519134  0.65038267  0.82057870  1.0
  Ga  Ga21  1  0.63540835  0.66355053  0.91403298  1.0
  Ga  Ga22  1  0.15807638  0.84192362  0.81665071  1.0
  Ga  Ga23  1  0.33333300  0.66666700  0.87018494  1.0
  Ga  Ga24  1  0.02814218  0.66355053  0.91403298  1.0
  Ga  Ga25  1  0.15807638  0.31615275  0.81665071  1.0
  Ga  Ga26  1  0.15807638  0.84192362  0.18334929  1.0
  Ga  Ga27  1  0.00170014  0.50085007  0.80080894  1.0
  Ga  Ga28  1  0.34961733  0.17480866  0.17942130  1.0
  Ga  Ga29  1  0.33644947  0.97185782  0.91403298  1.0
  Ga  Ga30  1  0.90790516  0.45395258  0.00000000  1.0
  Ga  Ga31  1  0.02814218  0.36459165  0.08596702  1.0
  Ga  Ga32  1  0.82519134  0.17480866  0.17942130  1.0
  Ga  Ga33  1  0.82519134  0.65038267  0.17942130  1.0
  Ga  Ga34  1  0.15807638  0.31615275  0.18334929  1.0
  Ga  Ga35  1  0.33644947  0.36459165  0.91403298  1.0
  Ga  Ga36  1  0.02814218  0.36459165  0.91403298  1.0
  Ga  Ga37  1  0.68384725  0.84192362  0.81665071  1.0
  Ga  Ga38  1  0.49914993  0.99829986  0.80080894  1.0
  Ga  Ga39  1  0.49914993  0.99829986  0.19919106  1.0
  Ga  Ga40  1  0.54604742  0.09209484  0.00000000  1.0
  Ga  Ga41  1  0.33644947  0.97185782  0.08596702  1.0
  Ga  Ga42  1  0.63540835  0.97185782  0.91403298  1.0
  Ga  Ga43  1  0.33333300  0.66666700  0.12981506  1.0
  Ga  Ga44  1  0.73435826  0.86717913  0.00000000  1.0
  Ga  Ga45  1  0.02814218  0.66355053  0.08596702  1.0
  Ga  Ga46  1  0.49914993  0.50085007  0.19919106  1.0
  Ga  Ga47  1  0.13282087  0.26564174  0.00000000  1.0
  Ga  Ga48  1  0.68384725  0.84192362  0.18334929  1.0
  Ga  Ga49  1  0.00170014  0.50085007  0.19919106  1.0
  Ga  Ga50  1  0.34961733  0.17480866  0.82057870  1.0
  Ga  Ga51  1  0.29292712  0.14646356  0.50000000  1.0
  Ga  Ga52  1  0.82519134  0.17480866  0.82057870  1.0
  Ga  Ga53  1  0.63540835  0.97185782  0.08596702  1.0
  Ga  Ga54  1  0.02474883  0.51237441  0.50000000  1.0
  Ga  Ga55  1  0.85353644  0.70707288  0.50000000  1.0
  Ga  Ga56  1  0.33644947  0.36459165  0.08596702  1.0
  Ga  Ga57  1  0.63540835  0.66355053  0.08596702  1.0
  Ga  Ga58  1  0.49914993  0.50085007  0.80080894  1.0
  Ni  Ni59  1  0.99673837  0.70235378  0.73637275  1.0
  Ni  Ni60  1  0.50049021  0.49950979  0.66024613  1.0
  Ni  Ni61  1  0.18199706  0.81800294  0.65806303  1.0
  Ni  Ni62  1  0.00174764  0.31016103  0.58129685  1.0
  Ni  Ni63  1  0.81764861  0.18235139  0.34256943  1.0
  Ni  Ni64  1  0.00174764  0.69158661  0.41870315  1.0
  Ni  Ni65  1  0.70561541  0.70235378  0.26362725  1.0
  Ni  Ni66  1  0.29764622  0.29438459  0.73637275  1.0
  Ni  Ni67  1  0.68983897  0.69158661  0.41870315  1.0
  Ni  Ni68  1  0.00000000  0.00000000  0.55087356  1.0
  Ni  Ni69  1  0.18199706  0.36399413  0.65806303  1.0
  Ni  Ni70  1  0.99901957  0.49950979  0.33975387  1.0
  Ni  Ni71  1  0.81764861  0.18235139  0.65743057  1.0
  Ni  Ni72  1  0.66053697  0.83026848  0.50000000  1.0
  Ni  Ni73  1  0.68983897  0.99825236  0.41870315  1.0
  Ni  Ni74  1  0.16973152  0.33946303  0.50000000  1.0
  Ni  Ni75  1  0.99673837  0.70235378  0.26362725  1.0
  Ni  Ni76  1  0.30841339  0.99825236  0.41870315  1.0
  Ni  Ni77  1  0.29764622  0.00326163  0.73637275  1.0
  Ni  Ni78  1  0.63600587  0.81800294  0.34193697  1.0
  Ni  Ni79  1  0.00000000  0.00000000  0.78786565  1.0
  Ni  Ni80  1  0.00000000  0.00000000  0.21213435  1.0
  Ni  Ni81  1  0.70561541  0.00326163  0.26362725  1.0
  Ni  Ni82  1  0.81764861  0.63529721  0.34256943  1.0
  Ni  Ni83  1  0.70561541  0.00326163  0.73637275  1.0
  Ni  Ni84  1  0.30841339  0.99825236  0.58129685  1.0
  Ni  Ni85  1  0.99673837  0.29438459  0.73637275  1.0
  Ni  Ni86  1  0.29764622  0.00326163  0.26362725  1.0
  Ni  Ni87  1  0.32841873  0.16420937  0.00000000  1.0
  Ni  Ni88  1  0.00000000  0.00000000  0.44912644  1.0
  Ni  Ni89  1  0.30841339  0.31016103  0.58129685  1.0
  Ni  Ni90  1  0.18199706  0.81800294  0.34193697  1.0
  Ni  Ni91  1  0.83579063  0.16420937  0.00000000  1.0
  Ni  Ni92  1  0.30841339  0.31016103  0.41870315  1.0
  Ni  Ni93  1  0.99901957  0.49950979  0.66024613  1.0
  Ni  Ni94  1  0.68983897  0.69158661  0.58129685  1.0
  Ni  Ni95  1  0.68983897  0.99825236  0.58129685  1.0
  Ni  Ni96  1  0.00174764  0.69158661  0.58129685  1.0
  Ni  Ni97  1  0.50049021  0.00098043  0.33975387  1.0
  Ni  Ni98  1  0.70561541  0.70235378  0.73637275  1.0
  Ni  Ni99  1  0.83579063  0.67158127  0.00000000  1.0
  Ni  Ni100  1  0.29764622  0.29438459  0.26362725  1.0
  Ni  Ni101  1  0.00174764  0.31016103  0.41870315  1.0
  Ni  Ni102  1  0.50049021  0.00098043  0.66024613  1.0
  Ni  Ni103  1  0.18199706  0.36399413  0.34193697  1.0
  Ni  Ni104  1  0.36470279  0.18235139  0.34256943  1.0
  Ni  Ni105  1  0.36470279  0.18235139  0.65743057  1.0
  Ni  Ni106  1  0.63600587  0.81800294  0.65806303  1.0
  Ni  Ni107  1  0.99673837  0.29438459  0.26362725  1.0
  Ni  Ni108  1  0.50049021  0.49950979  0.33975387  1.0
  Ni  Ni109  1  0.81764861  0.63529721  0.65743057  1.0
  Ni  Ni110  1  0.16973152  0.83026848  0.50000000  1.0

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