Tb10B7C10
高熵材料 HEAMP-ID: mp-570655 · 空间群: C2/c (#15)
基础信息
化学式
Tb10B7C10
MP-ID
mp-570655
元素数
3
位点数
108
密度
7.8079
g/cm³
体积
1,518.52
ų
晶胞参数 a
8.0499
Å
晶胞参数 b
8.0499
Å
晶胞参数 c
23.6902
Å
α 角
84.05
°
β 角
84.05
°
γ 角
88.69
°
空间群
C2/c
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
-0.54312
eV/atom
能量/原子
-17.69724
eV/atom
凸包距离
0.0126
eV/atom
未修正能量
-7.2718
eV/atom
体积/原子
14.06
ų
c/a 比
2.9429
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
0.1529
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000100
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
Tb · 0.370
元素家族
Lanthanide
溶质分数
0.630
间隙分数
0.630
综合指标雷达（归一化）
元素类别占比
混合熵 ΔS/R
1.0857
高熵判据（>1.0 视为高熵）
混合熵 ΔS
9.0267
J/mol·K
Ω 参数
1.7288
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
38.594%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.6311
越小混合越稳定
VEC
5.593
价电子浓度，影响相稳定性
混合焓 ΔH_mix
-13.723
kJ/mol 且负值为放热混合
熵归一化
0.9883
固溶体倾向
0
相趋势
IM
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-570655
参考引用
The crystal structure and related material properties of Tb10B7C10 were obtained from the Materials Project database (MP-ID: mp-570655, 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_Tb10B7C10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04987425
_cell_length_b 8.04987425
_cell_length_c 23.69018659
_cell_angle_alpha 84.04823097
_cell_angle_beta 84.04823097
_cell_angle_gamma 88.69488977
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb10B7C10
_chemical_formula_sum 'Tb40 B28 C40'
_cell_volume 1518.51757765
_cell_formula_units_Z 4
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
Tb Tb0 1 0.97121600 0.62407300 0.92227100 1.0
Tb Tb1 1 0.30266600 0.54600000 0.81805500 1.0
Tb Tb2 1 0.49609500 0.15590200 0.81790100 1.0
Tb Tb3 1 0.37592700 0.02878400 0.57772900 1.0
Tb Tb4 1 0.97890900 0.22761800 0.57759000 1.0
Tb Tb5 1 0.35371500 0.91271400 0.31751900 1.0
Tb Tb6 1 0.08728600 0.64628500 0.18248100 1.0
Tb Tb7 1 0.22293000 0.17309900 0.42429000 1.0
Tb Tb8 1 0.62407300 0.97121600 0.42227100 1.0
Tb Tb9 1 0.45400000 0.69733400 0.68194500 1.0
Tb Tb10 1 0.37521400 0.82248700 0.92197200 1.0
Tb Tb11 1 0.24138400 0.29155900 0.69630400 1.0
Tb Tb12 1 0.62478600 0.17751300 0.07802800 1.0
Tb Tb13 1 0.64628500 0.08728600 0.68248100 1.0
Tb Tb14 1 0.82248700 0.37521400 0.42197200 1.0
Tb Tb15 1 0.57563500 0.42596000 0.57733800 1.0
Tb Tb16 1 0.82690100 0.77707000 0.07571000 1.0
Tb Tb17 1 0.54600000 0.30266600 0.31805500 1.0
Tb Tb18 1 0.03657900 0.89394500 0.68229400 1.0
Tb Tb19 1 0.70844100 0.75861600 0.80369600 1.0
Tb Tb20 1 0.57404000 0.42436500 0.92266200 1.0
Tb Tb21 1 0.69733400 0.45400000 0.18194500 1.0
Tb Tb22 1 0.15590200 0.49609500 0.31790100 1.0
Tb Tb23 1 0.89394500 0.03657900 0.18229400 1.0
Tb Tb24 1 0.96342100 0.10605500 0.31770600 1.0
Tb Tb25 1 0.29155900 0.24138400 0.19630400 1.0
Tb Tb26 1 0.75861600 0.70844100 0.30369600 1.0
Tb Tb27 1 0.77238200 0.02109100 0.92241000 1.0
Tb Tb28 1 0.17751300 0.62478600 0.57802800 1.0
Tb Tb29 1 0.22761800 0.97890900 0.07759000 1.0
Tb Tb30 1 0.84409800 0.50390500 0.68209900 1.0
Tb Tb31 1 0.42596000 0.57563500 0.07733800 1.0
Tb Tb32 1 0.02878400 0.37592700 0.07772900 1.0
Tb Tb33 1 0.10605500 0.96342100 0.81770600 1.0
Tb Tb34 1 0.42436500 0.57404000 0.42266200 1.0
Tb Tb35 1 0.77707000 0.82690100 0.57571000 1.0
Tb Tb36 1 0.17309900 0.22293000 0.92429000 1.0
Tb Tb37 1 0.02109100 0.77238200 0.42241000 1.0
Tb Tb38 1 0.91271400 0.35371500 0.81751900 1.0
Tb Tb39 1 0.50390500 0.84409800 0.18209900 1.0
B B40 1 0.10298900 0.45823300 0.48008500 1.0
B B41 1 0.30541900 0.85510600 0.47931800 1.0
B B42 1 0.89701100 0.54176700 0.51991500 1.0
B B43 1 0.87845400 0.12154600 0.75000000 1.0
B B44 1 0.12154600 0.87845400 0.25000000 1.0
B B45 1 0.57132000 0.42868000 0.75000000 1.0
B B46 1 0.29414000 0.34294400 0.52459700 1.0
B B47 1 0.09564200 0.94253200 0.52061200 1.0
B B48 1 0.69458000 0.14489400 0.52068200 1.0
B B49 1 0.90435800 0.05746800 0.47938800 1.0
B B50 1 0.06903300 0.62066500 0.75044900 1.0
B B51 1 0.93096700 0.37933500 0.24955100 1.0
B B52 1 0.25563900 0.50950200 0.98035500 1.0
B B53 1 0.54176700 0.89701100 0.01991500 1.0
B B54 1 0.70586000 0.65705600 0.47540300 1.0
B B55 1 0.85510600 0.30542000 0.97931800 1.0
B B56 1 0.62066500 0.06903300 0.25044900 1.0
B B57 1 0.37933500 0.93096700 0.74955100 1.0
B B58 1 0.65705600 0.70586000 0.97540300 1.0
B B59 1 0.34294400 0.29414000 0.02459700 1.0
B B60 1 0.74436100 0.49049800 0.01964500 1.0
B B61 1 0.94253200 0.09564200 0.02061200 1.0
B B62 1 0.50950200 0.25563900 0.48035500 1.0
B B63 1 0.14489400 0.69458000 0.02068200 1.0
B B64 1 0.42868000 0.57132000 0.25000000 1.0
B B65 1 0.49049800 0.74436100 0.51964500 1.0
B B66 1 0.45823300 0.10298900 0.98008500 1.0
B B67 1 0.05746800 0.90435800 0.97938800 1.0
C C68 1 0.74509400 0.79536200 0.68222600 1.0
C C69 1 0.39197600 0.54399000 0.19225600 1.0
C C70 1 0.72368200 0.47403000 0.08283600 1.0
C C71 1 0.32439900 0.27419300 0.08816900 1.0
C C72 1 0.40596700 0.85806000 0.80734900 1.0
C C73 1 0.52359600 0.87488000 0.08307400 1.0
C C74 1 0.67560100 0.72580700 0.91183100 1.0
C C75 1 0.14194000 0.59403300 0.69265100 1.0
C C76 1 0.87311000 0.32488800 0.91617700 1.0
C C77 1 0.47403000 0.72368200 0.58283600 1.0
C C78 1 0.20463800 0.25490600 0.81777400 1.0
C C79 1 0.92341300 0.07452000 0.41628000 1.0
C C80 1 0.32488800 0.87311000 0.41617700 1.0
C C81 1 0.72580700 0.67560100 0.41183100 1.0
C C82 1 0.65735700 0.00854300 0.30847900 1.0
C C83 1 0.92548000 0.07658700 0.08372000 1.0
C C84 1 0.25490600 0.20463800 0.31777400 1.0
C C85 1 0.54399000 0.39197600 0.69225600 1.0
C C86 1 0.12689000 0.67511200 0.08382300 1.0
C C87 1 0.07658700 0.92548000 0.58372000 1.0
C C88 1 0.45601000 0.60802400 0.30774400 1.0
C C89 1 0.99145700 0.34264300 0.19152100 1.0
C C90 1 0.34264300 0.99145700 0.69152100 1.0
C C91 1 0.59403300 0.14194000 0.19265100 1.0
C C92 1 0.85806000 0.40596700 0.30734900 1.0
C C93 1 0.19344500 0.94116300 0.19246000 1.0
C C94 1 0.27631800 0.52597000 0.91716400 1.0
C C95 1 0.60802400 0.45601000 0.80774400 1.0
C C96 1 0.80655500 0.05883700 0.80754000 1.0
C C97 1 0.67511200 0.12689000 0.58382300 1.0
C C98 1 0.94116300 0.19344500 0.69246000 1.0
C C99 1 0.87488000 0.52359600 0.58307400 1.0
C C100 1 0.00854300 0.65735700 0.80847900 1.0
C C101 1 0.05883700 0.80655500 0.30754000 1.0
C C102 1 0.27419300 0.32439900 0.58816900 1.0
C C103 1 0.12512000 0.47640400 0.41692600 1.0
C C104 1 0.07452000 0.92341300 0.91628000 1.0
C C105 1 0.52597000 0.27631800 0.41716400 1.0
C C106 1 0.79536200 0.74509400 0.18222600 1.0
C C107 1 0.47640400 0.12512000 0.91692600 1.0