In(CoSb3)20
传统材料 TRAMP-ID: mp-1224652 · 空间群: C2/m (#12)
基础信息
化学式
In(CoSb3)20
MP-ID
mp-1224652
元素数
3
位点数
81
密度
7.5455
g/cm³
体积
1,892.41
ų
晶胞参数 a
7.8969
Å
晶胞参数 b
7.8969
Å
晶胞参数 c
32.8281
Å
α 角
80.78
°
β 角
80.78
°
γ 角
70.51
°
空间群
C2/m
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mC
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.13651
eV/atom
能量/原子
-22.72468
eV/atom
凸包距离
0.0130
eV/atom
未修正能量
-5.0202
eV/atom
体积/原子
23.36
ų
c/a 比
4.1571
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
0.0565
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000030
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
Sb · 0.741
元素家族
N/A
溶质分数
0.259
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.696
家族
Sb-rich Multi-Component
基质元素
Sb · 0.741
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-1224652
参考引用
The crystal structure and related material properties of In(CoSb3)20 were obtained from the Materials Project database (MP-ID: mp-1224652, 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_In(CoSb3)20
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.89687218
_cell_length_b 7.89687218
_cell_length_c 32.82807305
_cell_angle_alpha 80.78350239
_cell_angle_beta 80.78350239
_cell_angle_gamma 70.51158949
_symmetry_Int_Tables_number 1
_chemical_formula_structural In(CoSb3)20
_chemical_formula_sum 'In1 Co20 Sb60'
_cell_volume 1892.40631641
_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
In In0 1 0.00000000 0.00000000 0.00000000 1.0
Co Co1 1 0.69996800 0.20026900 0.09976300 1.0
Co Co2 1 0.10011300 0.60010000 0.29986400 1.0
Co Co3 1 0.50000000 0.00000000 0.50000000 1.0
Co Co4 1 0.89988700 0.39990000 0.70013600 1.0
Co Co5 1 0.30003200 0.79973100 0.90023700 1.0
Co Co6 1 0.90015700 0.39996000 0.19970400 1.0
Co Co7 1 0.30001500 0.80000500 0.39993400 1.0
Co Co8 1 0.69998500 0.19999500 0.60006600 1.0
Co Co9 1 0.09984300 0.60004000 0.80029600 1.0
Co Co10 1 0.50000000 0.00000000 0.00000000 1.0
Co Co11 1 0.00000000 0.50000000 0.00000000 1.0
Co Co12 1 0.39996000 0.90015700 0.19970400 1.0
Co Co13 1 0.80000500 0.30001500 0.39993400 1.0
Co Co14 1 0.19999500 0.69998500 0.60006600 1.0
Co Co15 1 0.60004000 0.09984300 0.80029600 1.0
Co Co16 1 0.20026900 0.69996800 0.09976300 1.0
Co Co17 1 0.60010000 0.10011300 0.29986400 1.0
Co Co18 1 0.00000000 0.50000000 0.50000000 1.0
Co Co19 1 0.39990000 0.89988700 0.70013600 1.0
Co Co20 1 0.79973100 0.30003200 0.90023700 1.0
Sb Sb21 1 0.75928400 0.43985100 0.13358200 1.0
Sb Sb22 1 0.15997800 0.84014600 0.33332200 1.0
Sb Sb23 1 0.56002000 0.24020700 0.53328700 1.0
Sb Sb24 1 0.96013200 0.64022400 0.73323000 1.0
Sb Sb25 1 0.36269000 0.03997500 0.93281600 1.0
Sb Sb26 1 0.63731000 0.96002500 0.06718400 1.0
Sb Sb27 1 0.03986800 0.35977600 0.26677000 1.0
Sb Sb28 1 0.43998000 0.75979300 0.46671300 1.0
Sb Sb29 1 0.84002200 0.15985400 0.66667800 1.0
Sb Sb30 1 0.24071600 0.56014900 0.86641800 1.0
Sb Sb31 1 0.43985100 0.75928400 0.13358200 1.0
Sb Sb32 1 0.84014600 0.15997800 0.33332200 1.0
Sb Sb33 1 0.24020700 0.56002000 0.53328700 1.0
Sb Sb34 1 0.64022400 0.96013200 0.73323000 1.0
Sb Sb35 1 0.03997500 0.36269000 0.93281600 1.0
Sb Sb36 1 0.96002500 0.63731000 0.06718400 1.0
Sb Sb37 1 0.35977600 0.03986800 0.26677000 1.0
Sb Sb38 1 0.75979300 0.43998000 0.46671300 1.0
Sb Sb39 1 0.15985400 0.84002200 0.66667800 1.0
Sb Sb40 1 0.56014900 0.24071600 0.86641800 1.0
Sb Sb41 1 0.72945200 0.39930400 0.03228400 1.0
Sb Sb42 1 0.13052200 0.79740200 0.23207000 1.0
Sb Sb43 1 0.53056900 0.19745600 0.43200400 1.0
Sb Sb44 1 0.93051900 0.59747300 0.63195800 1.0
Sb Sb45 1 0.33050600 0.99762300 0.83184800 1.0
Sb Sb46 1 0.66949400 0.00237700 0.16815200 1.0
Sb Sb47 1 0.06948100 0.40252700 0.36804200 1.0
Sb Sb48 1 0.46943100 0.80254400 0.56799600 1.0
Sb Sb49 1 0.86947800 0.20259800 0.76793000 1.0
Sb Sb50 1 0.27054800 0.60069600 0.96771600 1.0
Sb Sb51 1 0.00237700 0.66949400 0.16815200 1.0
Sb Sb52 1 0.40252700 0.06948100 0.36804200 1.0
Sb Sb53 1 0.80254400 0.46943100 0.56799600 1.0
Sb Sb54 1 0.20259800 0.86947800 0.76793000 1.0
Sb Sb55 1 0.60069600 0.27054800 0.96771600 1.0
Sb Sb56 1 0.39930400 0.72945200 0.03228400 1.0
Sb Sb57 1 0.79740200 0.13052200 0.23207000 1.0
Sb Sb58 1 0.19745600 0.53056900 0.43200400 1.0
Sb Sb59 1 0.59747300 0.93051900 0.63195800 1.0
Sb Sb60 1 0.99762300 0.33050600 0.83184800 1.0
Sb Sb61 1 0.17117700 0.17117700 0.16557700 1.0
Sb Sb62 1 0.57071700 0.57071700 0.36532300 1.0
Sb Sb63 1 0.97073700 0.97073700 0.56526300 1.0
Sb Sb64 1 0.37066400 0.37066400 0.76517400 1.0
Sb Sb65 1 0.76905300 0.76905300 0.96505000 1.0
Sb Sb66 1 0.23094700 0.23094700 0.03495000 1.0
Sb Sb67 1 0.62933600 0.62933600 0.23482600 1.0
Sb Sb68 1 0.02926300 0.02926300 0.43473700 1.0
Sb Sb69 1 0.42928300 0.42928300 0.63467700 1.0
Sb Sb70 1 0.82882300 0.82882300 0.83442300 1.0
Sb Sb71 1 0.36260600 0.36260600 0.10155800 1.0
Sb Sb72 1 0.76243700 0.76243700 0.30136300 1.0
Sb Sb73 1 0.16249500 0.16249500 0.50131900 1.0
Sb Sb74 1 0.56257200 0.56257200 0.70127500 1.0
Sb Sb75 1 0.96273600 0.96273600 0.90056100 1.0
Sb Sb76 1 0.03726400 0.03726400 0.09943900 1.0
Sb Sb77 1 0.43742800 0.43742800 0.29872500 1.0
Sb Sb78 1 0.83750500 0.83750500 0.49868100 1.0
Sb Sb79 1 0.23756300 0.23756300 0.69863700 1.0
Sb Sb80 1 0.63739400 0.63739400 0.89844200 1.0