基础信息
化学式
Ce3Ge5Pd14
MP-ID
mp-680221
元素数
3
位点数
88
密度
9.8573
g/cm³
体积
1,531.91
ų
晶胞参数 a
9.1333
Å
晶胞参数 b
9.1283
Å
晶胞参数 c
18.3745
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pnma
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
-0.70847
eV/atom
能量/原子
-5.86503
eV/atom
凸包距离
0.0033
eV/atom
未修正能量
-5.8650
eV/atom
体积/原子
17.41
ų
c/a 比
2.0118
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
Yes
总磁矩
3.8400
μB
磁有序
FiM
磁性位点数
12
磁化强度/体积
0.002510
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
Pd · 0.636
元素家族
N/A
溶质分数
0.364
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.603
家族
Pd-rich Multi-Component
基质元素
Pd · 0.636
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-680221
参考引用
The crystal structure and related material properties of Ce3Ge5Pd14 were obtained from the Materials Project database (MP-ID: mp-680221, 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_Ce3Ge5Pd14
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.13331600
_cell_length_b 9.12829200
_cell_length_c 18.37447500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce3Ge5Pd14
_chemical_formula_sum 'Ce12 Ge20 Pd56'
_cell_volume 1531.90892746
_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
Ce Ce0 1 0.62614900 0.75000000 0.29628100 1.0
Ce Ce1 1 0.37385100 0.25000000 0.70371900 1.0
Ce Ce2 1 0.87385100 0.25000000 0.79628100 1.0
Ce Ce3 1 0.11862400 0.25000000 0.02958100 1.0
Ce Ce4 1 0.62801900 0.25000000 0.04278400 1.0
Ce Ce5 1 0.38137600 0.75000000 0.52958100 1.0
Ce Ce6 1 0.12614900 0.75000000 0.20371900 1.0
Ce Ce7 1 0.88137600 0.75000000 0.97041900 1.0
Ce Ce8 1 0.87198100 0.75000000 0.54278400 1.0
Ce Ce9 1 0.12801900 0.25000000 0.45721600 1.0
Ce Ce10 1 0.37198100 0.75000000 0.95721600 1.0
Ce Ce11 1 0.61862400 0.25000000 0.47041900 1.0
Ge Ge12 1 0.86808600 0.99215500 0.39685400 1.0
Ge Ge13 1 0.63191400 0.00784500 0.89685400 1.0
Ge Ge14 1 0.37597500 0.75000000 0.76453300 1.0
Ge Ge15 1 0.88714900 0.50161900 0.10329300 1.0
Ge Ge16 1 0.61285100 0.49838100 0.60329300 1.0
Ge Ge17 1 0.11285100 0.49838100 0.89670700 1.0
Ge Ge18 1 0.63191400 0.49215500 0.89685400 1.0
Ge Ge19 1 0.62402500 0.25000000 0.23546700 1.0
Ge Ge20 1 0.88714900 0.99838100 0.10329300 1.0
Ge Ge21 1 0.36808600 0.99215500 0.10314600 1.0
Ge Ge22 1 0.86808600 0.50784500 0.39685400 1.0
Ge Ge23 1 0.87597500 0.75000000 0.73546700 1.0
Ge Ge24 1 0.11285100 0.00161900 0.89670700 1.0
Ge Ge25 1 0.61285100 0.00161900 0.60329300 1.0
Ge Ge26 1 0.38714900 0.99838100 0.39670700 1.0
Ge Ge27 1 0.36808600 0.50784500 0.10314600 1.0
Ge Ge28 1 0.38714900 0.50161900 0.39670700 1.0
Ge Ge29 1 0.13191400 0.00784500 0.60314600 1.0
Ge Ge30 1 0.12402500 0.25000000 0.26453300 1.0
Ge Ge31 1 0.13191400 0.49215500 0.60314600 1.0
Pd Pd32 1 0.12780000 0.91902900 0.03244500 1.0
Pd Pd33 1 0.12845200 0.06867000 0.16673200 1.0
Pd Pd34 1 0.21481800 0.25000000 0.85796800 1.0
Pd Pd35 1 0.37220000 0.08097100 0.53244500 1.0
Pd Pd36 1 0.12780000 0.58097100 0.03244500 1.0
Pd Pd37 1 0.12109900 0.58912500 0.47306300 1.0
Pd Pd38 1 0.37220000 0.41902900 0.53244500 1.0
Pd Pd39 1 0.87154800 0.93133000 0.83326800 1.0
Pd Pd40 1 0.71481800 0.25000000 0.64203200 1.0
Pd Pd41 1 0.62780000 0.91902900 0.46755500 1.0
Pd Pd42 1 0.37619700 0.96111800 0.24988400 1.0
Pd Pd43 1 0.12380300 0.03888200 0.74988400 1.0
Pd Pd44 1 0.62380300 0.46111800 0.75011600 1.0
Pd Pd45 1 0.46907000 0.75000000 0.14177500 1.0
Pd Pd46 1 0.62845200 0.06867000 0.33326800 1.0
Pd Pd47 1 0.87890100 0.41087500 0.52693700 1.0
Pd Pd48 1 0.12888500 0.48174900 0.33183300 1.0
Pd Pd49 1 0.37890100 0.41087500 0.97306300 1.0
Pd Pd50 1 0.62888500 0.01825100 0.16816700 1.0
Pd Pd51 1 0.61331300 0.75000000 0.83609800 1.0
Pd Pd52 1 0.37111500 0.98174900 0.83183300 1.0
Pd Pd53 1 0.38668700 0.25000000 0.16390200 1.0
Pd Pd54 1 0.62780000 0.58097100 0.46755500 1.0
Pd Pd55 1 0.37154800 0.93133000 0.66673200 1.0
Pd Pd56 1 0.96907000 0.75000000 0.35822500 1.0
Pd Pd57 1 0.62888500 0.48174900 0.16816700 1.0
Pd Pd58 1 0.37111500 0.51825100 0.83183300 1.0
Pd Pd59 1 0.87220000 0.08097100 0.96755500 1.0
Pd Pd60 1 0.28518200 0.75000000 0.35796800 1.0
Pd Pd61 1 0.87619700 0.53888200 0.25011600 1.0
Pd Pd62 1 0.13420500 0.75000000 0.82832500 1.0
Pd Pd63 1 0.62845200 0.43133000 0.33326800 1.0
Pd Pd64 1 0.86579500 0.25000000 0.17167500 1.0
Pd Pd65 1 0.87890100 0.08912500 0.52693700 1.0
Pd Pd66 1 0.03093000 0.25000000 0.64177500 1.0
Pd Pd67 1 0.78518200 0.75000000 0.14203200 1.0
Pd Pd68 1 0.87154800 0.56867000 0.83326800 1.0
Pd Pd69 1 0.87111500 0.98174900 0.66816700 1.0
Pd Pd70 1 0.37890100 0.08912500 0.97306300 1.0
Pd Pd71 1 0.12888500 0.01825100 0.33183300 1.0
Pd Pd72 1 0.87220000 0.41902900 0.96755500 1.0
Pd Pd73 1 0.37619700 0.53888200 0.24988400 1.0
Pd Pd74 1 0.12109900 0.91087500 0.47306300 1.0
Pd Pd75 1 0.62109900 0.91087500 0.02693700 1.0
Pd Pd76 1 0.87111500 0.51825100 0.66816700 1.0
Pd Pd77 1 0.11331300 0.75000000 0.66390200 1.0
Pd Pd78 1 0.12845200 0.43133000 0.16673200 1.0
Pd Pd79 1 0.36579500 0.25000000 0.32832500 1.0
Pd Pd80 1 0.62380300 0.03888200 0.75011600 1.0
Pd Pd81 1 0.53093000 0.25000000 0.85822500 1.0
Pd Pd82 1 0.88668700 0.25000000 0.33609800 1.0
Pd Pd83 1 0.37154800 0.56867000 0.66673200 1.0
Pd Pd84 1 0.12380300 0.46111800 0.74988400 1.0
Pd Pd85 1 0.63420500 0.75000000 0.67167500 1.0
Pd Pd86 1 0.87619700 0.96111800 0.25011600 1.0
Pd Pd87 1 0.62109900 0.58912500 0.02693700 1.0