SmC10
传统材料 TRAMP-ID: mp-17420 · 空间群: Im-3 (#204)
基础信息
化学式
SmC10
MP-ID
mp-17420
元素数
2
位点数
66
密度
4.2452
g/cm³
体积
634.77
ų
晶胞参数 a
9.3774
Å
晶胞参数 b
9.3774
Å
晶胞参数 c
9.3774
Å
α 角
109.47
°
β 角
109.47
°
γ 角
109.47
°
空间群
Im-3
点群
m-3
晶体系统
Cubic
Bravais 格子
cI
稳定性
No
堆积分数
0.6802
能量属性
形成能/原子
0.25520
eV/atom
能量/原子
-11.49073
eV/atom
凸包距离
0.3441
eV/atom
未修正能量
-8.5213
eV/atom
体积/原子
9.62
ų
c/a 比
1.0000
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
0.0023
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 · 0.909
元素家族
N/A
溶质分数
0.091
间隙分数
0.909
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.405
家族
Binary Alloy
基质元素
C · 0.909
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-17420
参考引用
The crystal structure and related material properties of SmC10 were obtained from the Materials Project database (MP-ID: mp-17420, 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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原始 CIF 数据
# generated using pymatgen
data_SmC10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.37735771
_cell_length_b 9.37735771
_cell_length_c 9.37735771
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmC10
_chemical_formula_sum 'Sm6 C60'
_cell_volume 634.77462654
_cell_formula_units_Z 6
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 0.74697800 0.24697800 0.50000000 1.0
Sm Sm1 1 0.50000000 0.25302200 0.75302200 1.0
Sm Sm2 1 0.24697800 0.50000000 0.74697800 1.0
Sm Sm3 1 0.50000000 0.74697800 0.24697800 1.0
Sm Sm4 1 0.75302200 0.50000000 0.25302200 1.0
Sm Sm5 1 0.25302200 0.75302200 0.50000000 1.0
C C6 1 0.73795300 0.67043200 0.06752100 1.0
C C7 1 0.06752100 0.39708900 0.32956800 1.0
C C8 1 0.67043200 0.93247900 0.60291100 1.0
C C9 1 0.93247900 0.60291100 0.67043200 1.0
C C10 1 0.32956800 0.93247900 0.26204700 1.0
C C11 1 0.06752100 0.73795300 0.67043200 1.0
C C12 1 0.67043200 0.06752100 0.73795300 1.0
C C13 1 0.32956800 0.06752100 0.39708900 1.0
C C14 1 0.93247900 0.26204700 0.32956800 1.0
C C15 1 0.60291100 0.67043200 0.93247900 1.0
C C16 1 0.26204700 0.32956800 0.93247900 1.0
C C17 1 0.39708900 0.32956800 0.06752100 1.0
C C18 1 0.84962400 0.82510400 0.24098900 1.0
C C19 1 0.02451900 0.41588500 0.17489600 1.0
C C20 1 0.60863400 0.75901100 0.58411500 1.0
C C21 1 0.75901100 0.58411500 0.60863400 1.0
C C22 1 0.39136600 0.97548100 0.15037600 1.0
C C23 1 0.24098900 0.84962400 0.82510400 1.0
C C24 1 0.82510400 0.24098900 0.84962400 1.0
C C25 1 0.17489600 0.02451900 0.41588500 1.0
C C26 1 0.97548100 0.15037600 0.39136600 1.0
C C27 1 0.58411500 0.60863400 0.75901100 1.0
C C28 1 0.15037600 0.39136600 0.97548100 1.0
C C29 1 0.41588500 0.17489600 0.02451900 1.0
C C30 1 0.15037600 0.17489600 0.75901100 1.0
C C31 1 0.97548100 0.58411500 0.82510400 1.0
C C32 1 0.39136600 0.24098900 0.41588500 1.0
C C33 1 0.24098900 0.41588500 0.39136600 1.0
C C34 1 0.60863400 0.02451900 0.84962400 1.0
C C35 1 0.75901100 0.15037600 0.17489600 1.0
C C36 1 0.17489600 0.75901100 0.15037600 1.0
C C37 1 0.82510400 0.97548100 0.58411500 1.0
C C38 1 0.02451900 0.84962400 0.60863400 1.0
C C39 1 0.41588500 0.39136600 0.24098900 1.0
C C40 1 0.84962400 0.60863400 0.02451900 1.0
C C41 1 0.58411500 0.82510400 0.97548100 1.0
C C42 1 0.82648200 0.97446800 0.28139500 1.0
C C43 1 0.85201400 0.30692600 0.02553200 1.0
C C44 1 0.54508700 0.71860500 0.69307400 1.0
C C45 1 0.71860500 0.69307400 0.54508700 1.0
C C46 1 0.45491300 0.14798600 0.17351800 1.0
C C47 1 0.28139500 0.82648200 0.97446800 1.0
C C48 1 0.97446800 0.28139500 0.82648200 1.0
C C49 1 0.02553200 0.85201400 0.30692600 1.0
C C50 1 0.14798600 0.17351800 0.45491300 1.0
C C51 1 0.69307400 0.54508700 0.71860500 1.0
C C52 1 0.17351800 0.45491300 0.14798600 1.0
C C53 1 0.30692600 0.02553200 0.85201400 1.0
C C54 1 0.17351800 0.02553200 0.71860500 1.0
C C55 1 0.14798600 0.69307400 0.97446800 1.0
C C56 1 0.45491300 0.28139500 0.30692600 1.0
C C57 1 0.28139500 0.30692600 0.45491300 1.0
C C58 1 0.54508700 0.85201400 0.82648200 1.0
C C59 1 0.71860500 0.17351800 0.02553200 1.0
C C60 1 0.02553200 0.71860500 0.17351800 1.0
C C61 1 0.97446800 0.14798600 0.69307400 1.0
C C62 1 0.85201400 0.82648200 0.54508700 1.0
C C63 1 0.30692600 0.45491300 0.28139500 1.0
C C64 1 0.82648200 0.54508700 0.85201400 1.0
C C65 1 0.69307400 0.97446800 0.14798600 1.0