基础信息
化学式
TbGe3Rh5
MP-ID
mp-1211078
元素数
3
位点数
108
密度
10.0624
g/cm³
体积
1,765.18
ų
晶胞参数 a
3.9356
Å
晶胞参数 b
22.7574
Å
晶胞参数 c
22.7574
Å
α 角
120.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P6_3/m
点群
6/m
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.69570
eV/atom
能量/原子
-6.84331
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-6.8433
eV/atom
体积/原子
16.34
ų
c/a 比
5.7824
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
0.0232
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
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
Rh · 0.556
元素家族
4d-TM
溶质分数
0.444
间隙分数
0.000
综合指标雷达（归一化）
元素类别占比
混合熵 ΔS/R
0.9369
高熵判据（>1.0 视为高熵）
混合熵 ΔS
7.7893
J/mol·K
Ω 参数
8.9353
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
10.725%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.3607
越小混合越稳定
VEC
7.333
价电子浓度，影响相稳定性
混合焓 ΔH_mix
1.593
kJ/mol 且负值为放热混合
熵归一化
0.8528
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-1211078
参考引用
The crystal structure and related material properties of TbGe3Rh5 were obtained from the Materials Project database (MP-ID: mp-1211078, 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_TbGe3Rh5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93561840
_cell_length_b 22.75742827
_cell_length_c 22.75742827
_cell_angle_alpha 119.99999804
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbGe3Rh5
_chemical_formula_sum 'Tb12 Ge36 Rh60'
_cell_volume 1765.18402156
_cell_formula_units_Z 12
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 0.75000000 0.73457056 0.77018908 1.0
Tb Tb1 1 0.25000000 0.26542944 0.22981092 1.0
Tb Tb2 1 0.75000000 0.03561852 0.26542944 1.0
Tb Tb3 1 0.25000000 0.96438148 0.73457056 1.0
Tb Tb4 1 0.75000000 0.22981092 0.96438148 1.0
Tb Tb5 1 0.25000000 0.77018908 0.03561852 1.0
Tb Tb6 1 0.75000000 0.38415618 0.52462177 1.0
Tb Tb7 1 0.25000000 0.61584382 0.47537823 1.0
Tb Tb8 1 0.75000000 0.14046559 0.61584382 1.0
Tb Tb9 1 0.25000000 0.85953441 0.38415618 1.0
Tb Tb10 1 0.75000000 0.47537823 0.85953441 1.0
Tb Tb11 1 0.25000000 0.52462177 0.14046559 1.0
Ge Ge12 1 0.75000000 0.88894869 0.06286583 1.0
Ge Ge13 1 0.25000000 0.11105131 0.93713417 1.0
Ge Ge14 1 0.75000000 0.17391715 0.11105131 1.0
Ge Ge15 1 0.25000000 0.82608285 0.88894869 1.0
Ge Ge16 1 0.75000000 0.93713417 0.82608285 1.0
Ge Ge17 1 0.25000000 0.06286583 0.17391715 1.0
Ge Ge18 1 0.75000000 0.63839358 0.16502238 1.0
Ge Ge19 1 0.25000000 0.36160642 0.83497762 1.0
Ge Ge20 1 0.75000000 0.52662880 0.36160642 1.0
Ge Ge21 1 0.25000000 0.47337120 0.63839358 1.0
Ge Ge22 1 0.75000000 0.83497762 0.47337120 1.0
Ge Ge23 1 0.25000000 0.16502238 0.52662880 1.0
Ge Ge24 1 0.75000000 0.77907108 0.26692295 1.0
Ge Ge25 1 0.25000000 0.22092892 0.73307705 1.0
Ge Ge26 1 0.75000000 0.48785187 0.22092892 1.0
Ge Ge27 1 0.25000000 0.51214813 0.77907108 1.0
Ge Ge28 1 0.75000000 0.73307705 0.51214813 1.0
Ge Ge29 1 0.25000000 0.26692295 0.48785187 1.0
Ge Ge30 1 0.75000000 0.73940470 0.12402300 1.0
Ge Ge31 1 0.25000000 0.26059530 0.87597700 1.0
Ge Ge32 1 0.75000000 0.38461831 0.26059530 1.0
Ge Ge33 1 0.25000000 0.61538169 0.73940470 1.0
Ge Ge34 1 0.75000000 0.87597700 0.61538169 1.0
Ge Ge35 1 0.25000000 0.12402300 0.38461831 1.0
Ge Ge36 1 0.75000000 0.98437597 0.41488825 1.0
Ge Ge37 1 0.25000000 0.01562403 0.58511175 1.0
Ge Ge38 1 0.75000000 0.43051228 0.01562403 1.0
Ge Ge39 1 0.25000000 0.56948772 0.98437597 1.0
Ge Ge40 1 0.75000000 0.58511175 0.56948772 1.0
Ge Ge41 1 0.25000000 0.41488825 0.43051228 1.0
Ge Ge42 1 0.75000000 0.68317377 0.91773658 1.0
Ge Ge43 1 0.25000000 0.31682623 0.08226342 1.0
Ge Ge44 1 0.75000000 0.23456281 0.31682623 1.0
Ge Ge45 1 0.25000000 0.76543719 0.68317377 1.0
Ge Ge46 1 0.75000000 0.08226342 0.76543719 1.0
Ge Ge47 1 0.25000000 0.91773658 0.23456281 1.0
Rh Rh48 1 0.75000000 0.74460122 0.35361919 1.0
Rh Rh49 1 0.25000000 0.25539878 0.64638081 1.0
Rh Rh50 1 0.75000000 0.60901797 0.25539878 1.0
Rh Rh51 1 0.25000000 0.39098203 0.74460122 1.0
Rh Rh52 1 0.75000000 0.64638081 0.39098203 1.0
Rh Rh53 1 0.25000000 0.35361919 0.60901797 1.0
Rh Rh54 1 0.75000000 0.44680804 0.69652908 1.0
Rh Rh55 1 0.25000000 0.55319196 0.30347092 1.0
Rh Rh56 1 0.75000000 0.24972104 0.55319197 1.0
Rh Rh57 1 0.25000000 0.75027896 0.44680803 1.0
Rh Rh58 1 0.75000000 0.30347092 0.75027896 1.0
Rh Rh59 1 0.25000000 0.69652908 0.24972104 1.0
Rh Rh60 1 0.75000000 0.85983877 0.15447307 1.0
Rh Rh61 1 0.25000000 0.14016123 0.84552693 1.0
Rh Rh62 1 0.75000000 0.29463430 0.14016123 1.0
Rh Rh63 1 0.25000000 0.70536570 0.85983877 1.0
Rh Rh64 1 0.75000000 0.84552693 0.70536570 1.0
Rh Rh65 1 0.25000000 0.15447307 0.29463430 1.0
Rh Rh66 1 0.75000000 0.95777785 0.50622584 1.0
Rh Rh67 1 0.25000000 0.04222215 0.49377416 1.0
Rh Rh68 1 0.75000000 0.54844798 0.04222215 1.0
Rh Rh69 1 0.25000000 0.45155202 0.95777785 1.0
Rh Rh70 1 0.75000000 0.49377416 0.45155202 1.0
Rh Rh71 1 0.25000000 0.50622584 0.54844798 1.0
Rh Rh72 1 0.75000000 0.59157402 0.79839452 1.0
Rh Rh73 1 0.25000000 0.40842598 0.20160548 1.0
Rh Rh74 1 0.75000000 0.20682050 0.40842598 1.0
Rh Rh75 1 0.25000000 0.79317950 0.59157402 1.0
Rh Rh76 1 0.75000000 0.20160548 0.79317950 1.0
Rh Rh77 1 0.25000000 0.79839452 0.20682050 1.0
Rh Rh78 1 0.75000000 0.80218454 0.94343792 1.0
Rh Rh79 1 0.25000000 0.19781546 0.05656208 1.0
Rh Rh80 1 0.75000000 0.14125338 0.19781546 1.0
Rh Rh81 1 0.25000000 0.85874662 0.80218454 1.0
Rh Rh82 1 0.75000000 0.05656208 0.85874662 1.0
Rh Rh83 1 0.25000000 0.94343792 0.14125338 1.0
Rh Rh84 1 0.75000000 0.89955265 0.29434090 1.0
Rh Rh85 1 0.25000000 0.10044735 0.70565910 1.0
Rh Rh86 1 0.75000000 0.39478824 0.10044735 1.0
Rh Rh87 1 0.25000000 0.60521176 0.89955265 1.0
Rh Rh88 1 0.75000000 0.70565910 0.60521176 1.0
Rh Rh89 1 0.25000000 0.29434090 0.39478824 1.0
Rh Rh90 1 0.75000000 0.91092438 0.91766800 1.0
Rh Rh91 1 0.25000000 0.08907562 0.08233200 1.0
Rh Rh92 1 0.75000000 0.00674362 0.08907562 1.0
Rh Rh93 1 0.25000000 0.99325638 0.91092438 1.0
Rh Rh94 1 0.75000000 0.08233200 0.99325638 1.0
Rh Rh95 1 0.25000000 0.91766800 0.00674362 1.0
Rh Rh96 1 0.75000000 0.55168807 0.65743491 1.0
Rh Rh97 1 0.25000000 0.44831193 0.34256509 1.0
Rh Rh98 1 0.75000000 0.10574684 0.44831193 1.0
Rh Rh99 1 0.25000000 0.89425316 0.55168807 1.0
Rh Rh100 1 0.75000000 0.34256509 0.89425316 1.0
Rh Rh101 1 0.25000000 0.65743491 0.10574684 1.0
Rh Rh102 1 0.75000000 0.64832365 0.00438643 1.0
Rh Rh103 1 0.25000000 0.35167635 0.99561357 1.0
Rh Rh104 1 0.75000000 0.35606278 0.35167635 1.0
Rh Rh105 1 0.25000000 0.64393722 0.64832365 1.0
Rh Rh106 1 0.75000000 0.99561357 0.64393722 1.0
Rh Rh107 1 0.25000000 0.00438643 0.35606278 1.0