Nd5Pb4
传统材料 TRAMP-ID: mp-1204902 · 空间群: Pnma (#62)
基础信息
化学式
Nd5Pb4
MP-ID
mp-1204902
元素数
2
位点数
36
密度
8.8397
g/cm³
体积
1,164.68
ų
晶胞参数 a
8.4599
Å
晶胞参数 b
8.5448
Å
晶胞参数 c
16.1117
Å
α 角
90.00
°
β 角
90.01
°
γ 角
90.00
°
空间群
Pnma
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.78106
eV/atom
能量/原子
-42.14001
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-42.1400
eV/atom
体积/原子
32.35
ų
c/a 比
1.9045
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
0.0010
μB
磁有序
Unknown
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
Nd · 0.556
元素家族
N/A
溶质分数
0.444
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.646
家族
Binary Alloy
基质元素
Nd · 0.556
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1204902
参考引用
The crystal structure and related material properties of Nd5Pb4 were obtained from the Materials Project database (MP-ID: mp-1204902, 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_Nd5Pb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.45988880
_cell_length_b 8.54481689
_cell_length_c 16.11165345
_cell_angle_alpha 90.00026323
_cell_angle_beta 90.00652938
_cell_angle_gamma 90.00027873
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd5Pb4
_chemical_formula_sum 'Nd20 Pb16'
_cell_volume 1164.68243096
_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
Nd Nd0 1 0.38417350 0.84192611 0.88290053 1.0
Nd Nd1 1 0.88410100 0.65804612 0.61711903 1.0
Nd Nd2 1 0.61589451 0.15805027 0.38282276 1.0
Nd Nd3 1 0.11582054 0.34191774 0.11716058 1.0
Nd Nd4 1 0.61582046 0.15808169 0.11716062 1.0
Nd Nd5 1 0.11589183 0.34194546 0.38282383 1.0
Nd Nd6 1 0.38409948 0.84195664 0.61711796 1.0
Nd Nd7 1 0.88417982 0.65807850 0.88289912 1.0
Nd Nd8 1 0.53829187 0.32485705 0.89711403 1.0
Nd Nd9 1 0.03820798 0.17518147 0.60286935 1.0
Nd Nd10 1 0.46179916 0.67519956 0.39708338 1.0
Nd Nd11 1 0.96171984 0.82483448 0.10294333 1.0
Nd Nd12 1 0.46172092 0.67516271 0.10294292 1.0
Nd Nd13 1 0.96179970 0.82479863 0.39708343 1.0
Nd Nd14 1 0.53820647 0.32482183 0.60287036 1.0
Nd Nd15 1 0.03828991 0.17514831 0.89711530 1.0
Nd Nd16 1 0.21671806 0.50298613 0.74998165 1.0
Nd Nd17 1 0.71672229 0.99701509 0.74998151 1.0
Nd Nd18 1 0.78328341 0.49703230 0.25002207 1.0
Nd Nd19 1 0.28328013 0.00296558 0.25002117 1.0
Pb Pb20 1 0.27379012 0.02939885 0.04418779 1.0
Pb Pb21 1 0.77385946 0.47052475 0.45582639 1.0
Pb Pb22 1 0.72613039 0.97047820 0.54409647 1.0
Pb Pb23 1 0.22620504 0.52943459 0.95587542 1.0
Pb Pb24 1 0.72620755 0.97056542 0.95587653 1.0
Pb Pb25 1 0.22612775 0.52952154 0.54409709 1.0
Pb Pb26 1 0.27386766 0.02947208 0.45582068 1.0
Pb Pb27 1 0.77380922 0.47059653 0.04418096 1.0
Pb Pb28 1 0.58216090 0.62403414 0.75001344 1.0
Pb Pb29 1 0.08215990 0.87596744 0.75001315 1.0
Pb Pb30 1 0.41779975 0.37603944 0.24998418 1.0
Pb Pb31 1 0.91780282 0.12395279 0.24998295 1.0
Pb Pb32 1 0.34648341 0.14453280 0.74999390 1.0
Pb Pb33 1 0.84648466 0.35546972 0.74999309 1.0
Pb Pb34 1 0.65354627 0.85545389 0.25001343 1.0
Pb Pb35 1 0.15354624 0.64454715 0.25001360 1.0