KC60
传统材料 TRAMP-ID: mp-29687 · 空间群: Pnnm (#58)
基础信息
化学式
KC60
MP-ID
mp-29687
元素数
2
位点数
122
密度
1.8981
g/cm³
体积
1,329.29
ų
晶胞参数 a
9.1287
Å
晶胞参数 b
10.0670
Å
晶胞参数 c
14.4647
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pnnm
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.35666
eV/atom
能量/原子
-9.52617
eV/atom
凸包距离
0.3635
eV/atom
未修正能量
-8.7372
eV/atom
体积/原子
10.90
ų
c/a 比
1.5845
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
0.0049
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
C · 0.984
元素家族
N/A
溶质分数
0.016
间隙分数
0.984
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.379
家族
Binary Alloy
基质元素
C · 0.984
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-29687
参考引用
The crystal structure and related material properties of KC60 were obtained from the Materials Project database (MP-ID: mp-29687, 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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拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_KC60
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.12865000
_cell_length_b 10.06702800
_cell_length_c 14.46474400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KC60
_chemical_formula_sum 'K2 C120'
_cell_volume 1329.28647059
_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 1.0
K K1 1 0.00000000 0.00000000 0.50000000 1.0
C C2 1 0.42061500 0.15798600 0.46704600 1.0
C C3 1 0.42061500 0.84201400 0.53295400 1.0
C C4 1 0.58747200 0.93941700 0.96414100 1.0
C C5 1 0.58747200 0.06058300 0.03585900 1.0
C C6 1 0.91252800 0.43941700 0.53585900 1.0
C C7 1 0.91252800 0.56058300 0.46414100 1.0
C C8 1 0.41252800 0.06058300 0.03585900 1.0
C C9 1 0.41252800 0.93941700 0.96414100 1.0
C C10 1 0.08747200 0.56058300 0.46414100 1.0
C C11 1 0.08747200 0.43941700 0.53585900 1.0
C C12 1 0.66583800 0.96593500 0.87313600 1.0
C C13 1 0.66583800 0.03406500 0.12686400 1.0
C C14 1 0.83416200 0.46593500 0.62686400 1.0
C C15 1 0.83416200 0.53406500 0.37313600 1.0
C C16 1 0.33416200 0.03406500 0.12686400 1.0
C C17 1 0.33416200 0.96593500 0.87313600 1.0
C C18 1 0.16583800 0.53406500 0.37313600 1.0
C C19 1 0.16583800 0.46593500 0.62686400 1.0
C C20 1 0.66507100 0.81398700 0.99703500 1.0
C C21 1 0.66507100 0.18601300 0.00296500 1.0
C C22 1 0.83492900 0.31398700 0.50296500 1.0
C C23 1 0.83492900 0.68601300 0.49703500 1.0
C C24 1 0.33492900 0.18601300 0.00296500 1.0
C C25 1 0.33492900 0.81398700 0.99703500 1.0
C C26 1 0.16507100 0.68601300 0.49703500 1.0
C C27 1 0.16507100 0.31398700 0.50296500 1.0
C C28 1 0.92307100 0.22137400 0.81857700 1.0
C C29 1 0.92307100 0.77862600 0.18142300 1.0
C C30 1 0.57692900 0.72137400 0.68142300 1.0
C C31 1 0.57692900 0.27862600 0.31857700 1.0
C C32 1 0.07692900 0.77862600 0.18142300 1.0
C C33 1 0.07692900 0.22137400 0.81857700 1.0
C C34 1 0.42307100 0.27862600 0.31857700 1.0
C C35 1 0.42307100 0.72137400 0.68142300 1.0
C C36 1 0.00000000 0.78089500 0.80698600 1.0
C C37 1 0.00000000 0.21910500 0.19301400 1.0
C C38 1 0.50000000 0.28089500 0.69301400 1.0
C C39 1 0.50000000 0.71910500 0.30698600 1.0
C C40 1 0.00000000 0.68982400 0.88043500 1.0
C C41 1 0.00000000 0.31017600 0.11956500 1.0
C C42 1 0.50000000 0.18982400 0.61956500 1.0
C C43 1 0.50000000 0.81017600 0.38043500 1.0
C C44 1 0.87196000 0.86176700 0.78880200 1.0
C C45 1 0.87196000 0.13823300 0.21119800 1.0
C C46 1 0.62804000 0.36176700 0.71119800 1.0
C C47 1 0.62804000 0.63823300 0.28880200 1.0
C C48 1 0.12804000 0.13823300 0.21119800 1.0
C C49 1 0.12804000 0.86176700 0.78880200 1.0
C C50 1 0.37196000 0.63823300 0.28880200 1.0
C C51 1 0.37196000 0.36176700 0.71119800 1.0
C C52 1 0.87190300 0.67749900 0.93897200 1.0
C C53 1 0.87190300 0.32250100 0.06102800 1.0
C C54 1 0.62809700 0.17749900 0.56102800 1.0
C C55 1 0.62809700 0.82250100 0.43897200 1.0
C C56 1 0.12809700 0.32250100 0.06102800 1.0
C C57 1 0.12809700 0.67749900 0.93897200 1.0
C C58 1 0.37190300 0.82250100 0.43897200 1.0
C C59 1 0.37190300 0.17749900 0.56102800 1.0
C C60 1 0.84346300 0.10432000 0.78945900 1.0
C C61 1 0.84346300 0.89568000 0.21054100 1.0
C C62 1 0.65653700 0.60432000 0.71054100 1.0
C C63 1 0.65653700 0.39568000 0.28945900 1.0
C C64 1 0.15653700 0.89568000 0.21054100 1.0
C C65 1 0.15653700 0.10432000 0.78945900 1.0
C C66 1 0.34346300 0.39568000 0.28945900 1.0
C C67 1 0.34346300 0.60432000 0.71054100 1.0
C C68 1 0.84362800 0.71824600 0.10579100 1.0
C C69 1 0.84362800 0.28175400 0.89420900 1.0
C C70 1 0.65637200 0.21824600 0.39420900 1.0
C C71 1 0.65637200 0.78175400 0.60579100 1.0
C C72 1 0.15637200 0.28175400 0.89420900 1.0
C C73 1 0.15637200 0.71824600 0.10579100 1.0
C C74 1 0.34362800 0.78175400 0.60579100 1.0
C C75 1 0.34362800 0.21824600 0.39420900 1.0
C C76 1 0.71411700 0.09114300 0.84658800 1.0
C C77 1 0.71411700 0.90885700 0.15341200 1.0
C C78 1 0.78588300 0.59114300 0.65341200 1.0
C C79 1 0.78588300 0.40885700 0.34658800 1.0
C C80 1 0.28588300 0.90885700 0.15341200 1.0
C C81 1 0.28588300 0.09114300 0.84658800 1.0
C C82 1 0.21411700 0.40885700 0.34658800 1.0
C C83 1 0.21411700 0.59114300 0.65341200 1.0
C C84 1 0.71414600 0.79720500 0.08754200 1.0
C C85 1 0.71414600 0.20279500 0.91245800 1.0
C C86 1 0.78585400 0.29720500 0.41245800 1.0
C C87 1 0.78585400 0.70279500 0.58754200 1.0
C C88 1 0.28585400 0.20279500 0.91245800 1.0
C C89 1 0.28585400 0.79720500 0.08754200 1.0
C C90 1 0.21414600 0.70279500 0.58754200 1.0
C C91 1 0.21414600 0.29720500 0.41245800 1.0
C C92 1 0.74787900 0.85106400 0.84601000 1.0
C C93 1 0.74787900 0.14893600 0.15399000 1.0
C C94 1 0.75212100 0.35106400 0.65399000 1.0
C C95 1 0.75212100 0.64893600 0.34601000 1.0
C C96 1 0.25212100 0.14893600 0.15399000 1.0
C C97 1 0.25212100 0.85106400 0.84601000 1.0
C C98 1 0.24787900 0.64893600 0.34601000 1.0
C C99 1 0.24787900 0.35106400 0.65399000 1.0
C C100 1 0.74770500 0.75734200 0.92231800 1.0
C C101 1 0.74770500 0.24265800 0.07768200 1.0
C C102 1 0.75229500 0.25734200 0.57768200 1.0
C C103 1 0.75229500 0.74265800 0.42231800 1.0
C C104 1 0.25229500 0.24265800 0.07768200 1.0
C C105 1 0.25229500 0.75734200 0.92231800 1.0
C C106 1 0.24770500 0.74265800 0.42231800 1.0
C C107 1 0.24770500 0.25734200 0.57768200 1.0
C C108 1 0.92032700 0.99133100 0.75929000 1.0
C C109 1 0.92032700 0.00866900 0.24071000 1.0
C C110 1 0.57967300 0.49133100 0.74071000 1.0
C C111 1 0.57967300 0.50866900 0.25929000 1.0
C C112 1 0.07967300 0.00866900 0.24071000 1.0
C C113 1 0.07967300 0.99133100 0.75929000 1.0
C C114 1 0.42032700 0.50866900 0.25929000 1.0
C C115 1 0.42032700 0.49133100 0.74071000 1.0
C C116 1 0.92061500 0.65798600 0.03295400 1.0
C C117 1 0.92061500 0.34201400 0.96704600 1.0
C C118 1 0.57938500 0.15798600 0.46704600 1.0
C C119 1 0.57938500 0.84201400 0.53295400 1.0
C C120 1 0.07938500 0.34201400 0.96704600 1.0
C C121 1 0.07938500 0.65798600 0.03295400 1.0