K23Na8(CdIn4)12

高熵材料 HEA

MP-ID: mp-633668 · 空间群: P6/mmm (#191)

Materials Project API

基础信息

化学式

K23Na8(CdIn4)12

MP-ID

mp-633668

元素数

位点数

密度

4.9218

g/cm³

体积

2,680.00

Å³

晶胞参数 a

17.2154

晶胞参数 b

17.2154

晶胞参数 c

10.4416

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P6/mmm

点群

6/mmm

晶体系统

Hexagonal

Bravais 格子

稳定性

Yes

堆积分数

0.7405

能量属性

形成能/原子

-0.13650

eV/atom

能量/原子

-2.12239

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-16.6603

eV/atom

体积/原子

29.45

Å³

c/a 比

0.6065

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

0.0000

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

In · 0.527

元素家族

PostTransition-Noble

溶质分数

0.473

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

1.1659

高熵判据（>1.0 视为高熵）

混合熵 ΔS

9.6936

J/mol·K

Ω 参数

0.3904

Ω > 1.1 利于固溶体形成

原子尺寸错配 δr

13.698%

δr < 6.6% 利于单相固溶

电负性差 Δχ

0.4349

越小混合越稳定

VEC

3.505

价电子浓度，影响相稳定性

混合焓 ΔH_mix

-10.496

kJ/mol 且负值为放热混合

熵归一化

0.8410

固溶体倾向

相趋势

关联任务

关联的计算任务 ID（1 个）

aaagjrst

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-633668

参考引用

The crystal structure and related material properties of K23Na8(CdIn4)12 were obtained from the Materials Project database (MP-ID: mp-633668, 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_K23Na8(CdIn4)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.21543328
_cell_length_b   17.21543328
_cell_length_c   10.44162912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K23Na8(CdIn4)12
_chemical_formula_sum   'K23 Na8 Cd12 In48'
_cell_volume   2680.00012871
_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
  K  K0  1  0.79384789  0.20615211  0.69600251  1.0
  K  K1  1  1.00000000  0.36585424  0.50000000  1.0
  K  K2  1  0.58769478  0.79384789  0.69600251  1.0
  K  K3  1  0.79384789  0.58769478  0.69600251  1.0
  K  K4  1  0.63414576  0.00000000  0.50000000  1.0
  K  K5  1  0.66666700  0.33333300  0.19892035  1.0
  K  K6  1  0.20615211  0.79384789  0.30399749  1.0
  K  K7  1  0.63414576  0.63414576  0.50000000  1.0
  K  K8  1  0.33333300  0.66666700  0.80107965  1.0
  K  K9  1  0.20615211  0.41230522  0.69600251  1.0
  K  K10  1  0.79384789  0.58769478  0.30399749  1.0
  K  K11  1  0.20615211  0.79384789  0.69600251  1.0
  K  K12  1  0.36585424  0.36585424  0.50000000  1.0
  K  K13  1  0.66666700  0.33333300  0.80107965  1.0
  K  K14  1  0.41230522  0.20615211  0.69600251  1.0
  K  K15  1  0.33333300  0.66666700  0.19892035  1.0
  K  K16  1  0.58769478  0.79384789  0.30399749  1.0
  K  K17  1  0.79384789  0.20615211  0.30399749  1.0
  K  K18  1  0.36585424  1.00000000  0.50000000  1.0
  K  K19  1  0.00000000  0.63414576  0.50000000  1.0
  K  K20  1  0.20615211  0.41230522  0.30399749  1.0
  K  K21  1  -0.00000000  -0.00000000  0.00000000  1.0
  K  K22  1  0.41230522  0.20615211  0.30399749  1.0
  Na  Na23  1  0.86735922  0.73471943  0.00000000  1.0
  Na  Na24  1  -0.00000000  -0.00000000  0.65013421  1.0
  Na  Na25  1  0.13264078  0.26528057  0.00000000  1.0
  Na  Na26  1  0.86735922  0.13264078  0.00000000  1.0
  Na  Na27  1  0.73471943  0.86735922  0.00000000  1.0
  Na  Na28  1  -0.00000000  -0.00000000  0.34986579  1.0
  Na  Na29  1  0.13264078  0.86735922  0.00000000  1.0
  Na  Na30  1  0.26528057  0.13264078  0.00000000  1.0
  Cd  Cd31  1  0.81903862  0.00000000  0.25373478  1.0
  Cd  Cd32  1  0.18096138  1.00000000  0.74626522  1.0
  Cd  Cd33  1  0.81903862  0.00000000  0.74626522  1.0
  Cd  Cd34  1  0.81903862  0.81903862  0.25373478  1.0
  Cd  Cd35  1  0.18096138  1.00000000  0.25373478  1.0
  Cd  Cd36  1  1.00000000  0.18096138  0.25373478  1.0
  Cd  Cd37  1  0.18096138  0.18096138  0.25373478  1.0
  Cd  Cd38  1  0.00000000  0.81903862  0.74626522  1.0
  Cd  Cd39  1  1.00000000  0.18096138  0.74626522  1.0
  Cd  Cd40  1  0.18096138  0.18096138  0.74626522  1.0
  Cd  Cd41  1  0.81903862  0.81903862  0.74626522  1.0
  Cd  Cd42  1  0.00000000  0.81903862  0.25373478  1.0
  In  In43  1  1.00000000  0.34661149  0.85045148  1.0
  In  In44  1  0.33254794  0.49041745  0.00000000  1.0
  In  In45  1  0.65338851  0.00000000  0.85045148  1.0
  In  In46  1  0.45050937  0.54949063  0.24908267  1.0
  In  In47  1  0.84213049  0.33254794  0.00000000  1.0
  In  In48  1  0.09898026  0.54949063  0.24908267  1.0
  In  In49  1  0.54949063  0.09898026  0.24908267  1.0
  In  In50  1  0.90101974  0.45050937  0.24908267  1.0
  In  In51  1  0.90101974  0.45050937  0.75091733  1.0
  In  In52  1  0.34661149  1.00000000  0.14954852  1.0
  In  In53  1  0.49041745  0.33254794  0.00000000  1.0
  In  In54  1  0.00000000  0.65338851  0.14954852  1.0
  In  In55  1  0.66745206  0.15786951  0.00000000  1.0
  In  In56  1  0.49041745  0.15786951  0.00000000  1.0
  In  In57  1  0.45050937  0.90101974  0.75091733  1.0
  In  In58  1  0.21274722  0.60637361  0.50000000  1.0
  In  In59  1  0.89413869  0.78827639  0.50000000  1.0
  In  In60  1  0.45050937  0.54949063  0.75091733  1.0
  In  In61  1  0.65338851  0.65338851  0.85045148  1.0
  In  In62  1  1.00000000  0.34661149  0.14954852  1.0
  In  In63  1  0.34661149  0.34661149  0.85045148  1.0
  In  In64  1  0.65338851  0.00000000  0.14954852  1.0
  In  In65  1  0.33254794  0.84213049  0.00000000  1.0
  In  In66  1  0.78827639  0.89413869  0.50000000  1.0
  In  In67  1  0.65338851  0.65338851  0.14954852  1.0
  In  In68  1  0.10586131  0.21172361  0.50000000  1.0
  In  In69  1  0.60637361  0.39362639  0.50000000  1.0
  In  In70  1  0.00000000  0.65338851  0.85045148  1.0
  In  In71  1  0.21172361  0.10586131  0.50000000  1.0
  In  In72  1  0.50958255  0.66745206  0.00000000  1.0
  In  In73  1  0.54949063  0.45050937  0.24908267  1.0
  In  In74  1  0.15786951  0.66745206  0.00000000  1.0
  In  In75  1  0.34661149  1.00000000  0.85045148  1.0
  In  In76  1  0.45050937  0.90101974  0.24908267  1.0
  In  In77  1  0.89413869  0.10586131  0.50000000  1.0
  In  In78  1  0.50958255  0.84213049  0.00000000  1.0
  In  In79  1  0.84213049  0.50958255  0.00000000  1.0
  In  In80  1  0.54949063  0.09898026  0.75091733  1.0
  In  In81  1  0.39362639  0.60637361  0.50000000  1.0
  In  In82  1  0.66745206  0.50958255  0.00000000  1.0
  In  In83  1  0.09898026  0.54949063  0.75091733  1.0
  In  In84  1  0.15786951  0.49041745  0.00000000  1.0
  In  In85  1  0.60637361  0.21274722  0.50000000  1.0
  In  In86  1  0.34661149  0.34661149  0.14954852  1.0
  In  In87  1  0.10586131  0.89413869  0.50000000  1.0
  In  In88  1  0.54949063  0.45050937  0.75091733  1.0
  In  In89  1  0.78725278  0.39362639  0.50000000  1.0
  In  In90  1  0.39362639  0.78725278  0.50000000  1.0

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