K3(Na13In24)2

HEA 稳定
MP-ID: mp-684127 · 空间群: Pm-3n (#223)
Materials Project API
基础信息

化学式
K3(Na13In24)2
MP-ID
mp-684127
元素数
位点数
154
密度
4.6723
g/cm³
体积
4,425.68
Å³
晶胞参数 a
16.4182
晶胞参数 b
16.4182
晶胞参数 c
16.4182
α 角
90.00
β 角
90.00
γ 角
90.00
晶体系统
Cubic
Bravais 格子
点群
m-3m
堆积分数
0.5236
能量属性

形成能/原子
-0.13526
eV/atom
能量/原子
-2.35240
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.3524
eV/atom
体积/原子
28.74
Å³
c/a 比
1.0000
电子属性

金属性
金属
带隙 (eV)
直接带隙
CBM
N/A
磁性属性

磁性
总磁矩 (μB)
0.0053
磁有序
磁性位点数
磁化强度/体积 (μB/Å³)
0.00e+0
弹性数据不可用
引用与参考

Materials Project 官方页面
https://next-gen.materialsproject.org/materials/mp-684127
关联任务 ID (3 个)
mp-934132 mp-684127 mp-944178
CIF 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_K3(Na13In24)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.41824200
_cell_length_b   16.41824200
_cell_length_c   16.41824200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3(Na13In24)2
_chemical_formula_sum   'K6 Na52 In96'
_cell_volume   4425.67948334
_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
  K  K0  1  0.50000000  0.50000000  0.00000000  1
  K  K1  1  0.50000000  0.00000000  0.50000000  1
  K  K2  1  0.00000000  0.50000000  0.50000000  1
  K  K3  1  0.50000000  0.00000000  0.00000000  1
  K  K4  1  0.00000000  0.00000000  0.50000000  1
  K  K5  1  0.00000000  0.50000000  0.00000000  1
  Na  Na6  1  0.68908400  0.31091600  0.31091600  1
  Na  Na7  1  0.63609700  0.50000000  0.20406800  1
  Na  Na8  1  0.63609700  0.50000000  0.79593200  1
  Na  Na9  1  0.81091600  0.18908400  0.18908400  1
  Na  Na10  1  0.79593200  0.36390300  0.50000000  1
  Na  Na11  1  0.86390300  0.29593200  0.00000000  1
  Na  Na12  1  0.20406800  0.36390300  0.50000000  1
  Na  Na13  1  0.68908400  0.31091600  0.68908400  1
  Na  Na14  1  0.79593200  0.63609700  0.50000000  1
  Na  Na15  1  0.86390300  0.70406800  0.00000000  1
  Na  Na16  1  0.18908400  0.81091600  0.81091600  1
  Na  Na17  1  0.81091600  0.81091600  0.18908400  1
  Na  Na18  1  0.36390300  0.50000000  0.79593200  1
  Na  Na19  1  0.18908400  0.18908400  0.81091600  1
  Na  Na20  1  0.20406800  0.63609700  0.50000000  1
  Na  Na21  1  0.81091600  0.18908400  0.81091600  1
  Na  Na22  1  0.00000000  0.75000000  0.50000000  1
  Na  Na23  1  0.50000000  0.20406800  0.63609700  1
  Na  Na24  1  0.31091600  0.68908400  0.68908400  1
  Na  Na25  1  0.50000000  0.79593200  0.63609700  1
  Na  Na26  1  0.25000000  0.00000000  0.50000000  1
  Na  Na27  1  0.50000000  0.20406800  0.36390300  1
  Na  Na28  1  0.68908400  0.68908400  0.31091600  1
  Na  Na29  1  0.00000000  0.50000000  0.75000000  1
  Na  Na30  1  0.70406800  0.00000000  0.86390300  1
  Na  Na31  1  0.00000000  0.13609700  0.70406800  1
  Na  Na32  1  0.50000000  0.75000000  0.00000000  1
  Na  Na33  1  0.29593200  0.00000000  0.86390300  1
  Na  Na34  1  0.00000000  0.50000000  0.25000000  1
  Na  Na35  1  0.31091600  0.31091600  0.68908400  1
  Na  Na36  1  0.25000000  0.50000000  0.00000000  1
  Na  Na37  1  0.13609700  0.29593200  0.00000000  1
  Na  Na38  1  0.29593200  0.00000000  0.13609700  1
  Na  Na39  1  0.81091600  0.81091600  0.81091600  1
  Na  Na40  1  0.18908400  0.18908400  0.18908400  1
  Na  Na41  1  0.31091600  0.31091600  0.31091600  1
  Na  Na42  1  0.00000000  0.13609700  0.29593200  1
  Na  Na43  1  0.13609700  0.70406800  0.00000000  1
  Na  Na44  1  0.00000000  0.25000000  0.50000000  1
  Na  Na45  1  0.75000000  0.00000000  0.50000000  1
  Na  Na46  1  0.50000000  0.25000000  0.00000000  1
  Na  Na47  1  0.36390300  0.50000000  0.20406800  1
  Na  Na48  1  0.50000000  0.00000000  0.75000000  1
  Na  Na49  1  0.50000000  0.00000000  0.25000000  1
  Na  Na50  1  0.70406800  0.00000000  0.13609700  1
  Na  Na51  1  0.68908400  0.68908400  0.68908400  1
  Na  Na52  1  0.50000000  0.79593200  0.36390300  1
  Na  Na53  1  0.31091600  0.68908400  0.31091600  1
  Na  Na54  1  0.18908400  0.81091600  0.18908400  1
  Na  Na55  1  0.00000000  0.86390300  0.29593200  1
  Na  Na56  1  0.75000000  0.50000000  0.00000000  1
  Na  Na57  1  0.00000000  0.86390300  0.70406800  1
  In  In58  1  0.16675600  0.82989000  0.59506800  1
  In  In59  1  0.09293600  0.00000000  0.15368200  1
  In  In60  1  0.50000000  0.59293600  0.65368200  1
  In  In61  1  0.09293600  0.00000000  0.84631800  1
  In  In62  1  0.33324400  0.09506800  0.32989000  1
  In  In63  1  0.00000000  0.15368200  0.90706400  1
  In  In64  1  0.40706400  0.34631800  0.50000000  1
  In  In65  1  0.67011000  0.66675600  0.90493200  1
  In  In66  1  0.17011000  0.59506800  0.16675600  1
  In  In67  1  0.40706400  0.65368200  0.50000000  1
  In  In68  1  0.82989000  0.59506800  0.83324400  1
  In  In69  1  0.66675600  0.90493200  0.67011000  1
  In  In70  1  0.66260300  0.18098400  0.50000000  1
  In  In71  1  0.15368200  0.90706400  0.00000000  1
  In  In72  1  0.34631800  0.50000000  0.40706400  1
  In  In73  1  0.33739700  0.18098400  0.50000000  1
  In  In74  1  0.59506800  0.16675600  0.82989000  1
  In  In75  1  0.40493200  0.16675600  0.17011000  1
  In  In76  1  0.33324400  0.90493200  0.67011000  1
  In  In77  1  0.40493200  0.16675600  0.82989000  1
  In  In78  1  0.32989000  0.66675600  0.90493200  1
  In  In79  1  0.83739700  0.00000000  0.68098400  1
  In  In80  1  0.17011000  0.40493200  0.83324400  1
  In  In81  1  0.59506800  0.83324400  0.82989000  1
  In  In82  1  0.65368200  0.50000000  0.59293600  1
  In  In83  1  0.32989000  0.33324400  0.09506800  1
  In  In84  1  0.50000000  0.40706400  0.34631800  1
  In  In85  1  0.16260300  0.00000000  0.31901600  1
  In  In86  1  0.67011000  0.33324400  0.09506800  1
  In  In87  1  0.67011000  0.66675600  0.09506800  1
  In  In88  1  0.18098400  0.50000000  0.33739700  1
  In  In89  1  0.50000000  0.59293600  0.34631800  1
  In  In90  1  0.68098400  0.16260300  0.00000000  1
  In  In91  1  0.90706400  0.00000000  0.15368200  1
  In  In92  1  0.68098400  0.83739700  0.00000000  1
  In  In93  1  0.66675600  0.90493200  0.32989000  1
  In  In94  1  0.65368200  0.50000000  0.40706400  1
  In  In95  1  0.50000000  0.66260300  0.81901600  1
  In  In96  1  0.59293600  0.34631800  0.50000000  1
  In  In97  1  0.15368200  0.09293600  0.00000000  1
  In  In98  1  0.09506800  0.67011000  0.66675600  1
  In  In99  1  0.09506800  0.67011000  0.33324400  1
  In  In100  1  0.83324400  0.17011000  0.40493200  1
  In  In101  1  0.16675600  0.82989000  0.40493200  1
  In  In102  1  0.50000000  0.33739700  0.18098400  1
  In  In103  1  0.40493200  0.83324400  0.82989000  1
  In  In104  1  0.31901600  0.83739700  0.00000000  1
  In  In105  1  0.90493200  0.67011000  0.66675600  1
  In  In106  1  0.90493200  0.32989000  0.33324400  1
  In  In107  1  0.82989000  0.59506800  0.16675600  1
  In  In108  1  0.81901600  0.50000000  0.66260300  1
  In  In109  1  0.90493200  0.67011000  0.33324400  1
  In  In110  1  0.83324400  0.82989000  0.59506800  1
  In  In111  1  0.00000000  0.84631800  0.09293600  1
  In  In112  1  0.90493200  0.32989000  0.66675600  1
  In  In113  1  0.00000000  0.15368200  0.09293600  1
  In  In114  1  0.50000000  0.66260300  0.18098400  1
  In  In115  1  0.82989000  0.40493200  0.83324400  1
  In  In116  1  0.50000000  0.33739700  0.81901600  1
  In  In117  1  0.00000000  0.68098400  0.16260300  1
  In  In118  1  0.16260300  0.00000000  0.68098400  1
  In  In119  1  0.84631800  0.09293600  0.00000000  1
  In  In120  1  0.16675600  0.17011000  0.59506800  1
  In  In121  1  0.32989000  0.66675600  0.09506800  1
  In  In122  1  0.83324400  0.17011000  0.59506800  1
  In  In123  1  0.17011000  0.40493200  0.16675600  1
  In  In124  1  0.66675600  0.09506800  0.32989000  1
  In  In125  1  0.82989000  0.40493200  0.16675600  1
  In  In126  1  0.32989000  0.33324400  0.90493200  1
  In  In127  1  0.66260300  0.81901600  0.50000000  1
  In  In128  1  0.16675600  0.17011000  0.40493200  1
  In  In129  1  0.66675600  0.09506800  0.67011000  1
  In  In130  1  0.90706400  0.00000000  0.84631800  1
  In  In131  1  0.33324400  0.90493200  0.32989000  1
  In  In132  1  0.18098400  0.50000000  0.66260300  1
  In  In133  1  0.59506800  0.16675600  0.17011000  1
  In  In134  1  0.83739700  0.00000000  0.31901600  1
  In  In135  1  0.00000000  0.84631800  0.90706400  1
  In  In136  1  0.34631800  0.50000000  0.59293600  1
  In  In137  1  0.33739700  0.81901600  0.50000000  1
  In  In138  1  0.00000000  0.31901600  0.83739700  1
  In  In139  1  0.00000000  0.31901600  0.16260300  1
  In  In140  1  0.17011000  0.59506800  0.83324400  1
  In  In141  1  0.59506800  0.83324400  0.17011000  1
  In  In142  1  0.00000000  0.68098400  0.83739700  1
  In  In143  1  0.67011000  0.33324400  0.90493200  1
  In  In144  1  0.09506800  0.32989000  0.66675600  1
  In  In145  1  0.31901600  0.16260300  0.00000000  1
  In  In146  1  0.84631800  0.90706400  0.00000000  1
  In  In147  1  0.59293600  0.65368200  0.50000000  1
  In  In148  1  0.33324400  0.09506800  0.67011000  1
  In  In149  1  0.50000000  0.40706400  0.65368200  1
  In  In150  1  0.83324400  0.82989000  0.40493200  1
  In  In151  1  0.40493200  0.83324400  0.17011000  1
  In  In152  1  0.81901600  0.50000000  0.33739700  1
  In  In153  1  0.09506800  0.32989000  0.33324400  1