基础信息
化学式
Nd23Cd4Rh7
MP-ID
mp-567916
元素数
3
位点数
68
密度
7.6693
g/cm³
体积
1,943.27
ų
晶胞参数 a
9.9738
Å
晶胞参数 b
9.9738
Å
晶胞参数 c
22.5571
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6_3mc
点群
6mm
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
-0.44142
eV/atom
能量/原子
-5.29606
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-27.7263
eV/atom
体积/原子
28.58
ų
c/a 比
2.2616
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
3.7132
μB
磁有序
FM
磁性位点数
16
磁化强度/体积
0.001910
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 · 0.676
元素家族
Lanthanide
溶质分数
0.324
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
0.8416
高熵判据（>1.0 视为高熵）
混合熵 ΔS
6.9968
J/mol·K
Ω 参数
0.3494
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
12.596%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.4621
越小混合越稳定
VEC
5.294
价电子浓度，影响相稳定性
混合焓 ΔH_mix
-28.194
kJ/mol 且负值为放热混合
熵归一化
0.7660
固溶体倾向
0
相趋势
AM
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-567916
参考引用
The crystal structure and related material properties of Nd23Cd4Rh7 were obtained from the Materials Project database (MP-ID: mp-567916, 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_Nd23Cd4Rh7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.97379031
_cell_length_b 9.97374543
_cell_length_c 22.55705910
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99985478
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd23Cd4Rh7
_chemical_formula_sum 'Nd46 Cd8 Rh14'
_cell_volume 1943.26602076
_cell_formula_units_Z 2
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 0.25344885 0.12672443 0.63515798 1.0
Nd Nd1 1 0.45896285 0.91792237 0.85573857 1.0
Nd Nd2 1 0.74655115 0.87327557 0.13515798 1.0
Nd Nd3 1 0.79235975 0.20760435 0.94697541 1.0
Nd Nd4 1 0.08208662 0.54104331 0.85573581 1.0
Nd Nd5 1 0.45971464 0.91941324 0.58573690 1.0
Nd Nd6 1 0.54028536 0.08058676 0.08573690 1.0
Nd Nd7 1 0.87327087 0.12671669 0.63515811 1.0
Nd Nd8 1 0.79861475 0.20136391 0.78271784 1.0
Nd Nd9 1 0.41524499 0.20762300 0.94697408 1.0
Nd Nd10 1 0.45896285 0.54104048 0.85573857 1.0
Nd Nd11 1 0.58657980 0.79328940 0.72106964 1.0
Nd Nd12 1 0.54103715 0.08207763 0.35573857 1.0
Nd Nd13 1 0.91938474 0.45969287 0.08573569 1.0
Nd Nd14 1 0.79135853 0.58275648 0.48896513 1.0
Nd Nd15 1 0.79328435 0.58658056 0.22107129 1.0
Nd Nd16 1 0.79135853 0.20860305 0.48896513 1.0
Nd Nd17 1 0.91791338 0.45895669 0.35573581 1.0
Nd Nd18 1 0.20764025 0.41524360 0.44697541 1.0
Nd Nd19 1 0.40272326 0.20136163 0.78272282 1.0
Nd Nd20 1 0.41342020 0.20671060 0.22106964 1.0
Nd Nd21 1 0.54103715 0.45895952 0.35573857 1.0
Nd Nd22 1 0.66665786 0.33332843 0.64673329 1.0
Nd Nd23 1 0.00001256 0.00000628 0.49513506 1.0
Nd Nd24 1 0.79861475 0.59725084 0.78271784 1.0
Nd Nd25 1 0.20764025 0.79239565 0.44697541 1.0
Nd Nd26 1 0.79235975 0.58475640 0.94697541 1.0
Nd Nd27 1 0.12672913 0.25344581 0.13515811 1.0
Nd Nd28 1 0.87327087 0.74655419 0.63515811 1.0
Nd Nd29 1 0.08061526 0.54030713 0.58573569 1.0
Nd Nd30 1 0.20864147 0.79139695 0.98896513 1.0
Nd Nd31 1 0.59727674 0.79863837 0.28272282 1.0
Nd Nd32 1 0.58475501 0.79237700 0.44697408 1.0
Nd Nd33 1 0.20671565 0.41341944 0.72107129 1.0
Nd Nd34 1 0.54028536 0.45969960 0.08573690 1.0
Nd Nd35 1 0.20671565 0.79329521 0.72107129 1.0
Nd Nd36 1 0.41724861 0.20862480 0.48897299 1.0
Nd Nd37 1 0.45971464 0.54030040 0.58573690 1.0
Nd Nd38 1 0.20864147 0.41724352 0.98896513 1.0
Nd Nd39 1 -0.00001256 -0.00000628 0.99513506 1.0
Nd Nd40 1 0.58275139 0.79137520 0.98897299 1.0
Nd Nd41 1 0.20138525 0.79863609 0.28271784 1.0
Nd Nd42 1 0.20138525 0.40274916 0.28271784 1.0
Nd Nd43 1 0.79328435 0.20670479 0.22107129 1.0
Nd Nd44 1 0.12672913 0.87328331 0.13515811 1.0
Nd Nd45 1 0.33334214 0.66667157 0.14673329 1.0
Cd Cd46 1 0.21162508 0.10581304 0.36282712 1.0
Cd Cd47 1 0.78837492 0.89418696 0.86282712 1.0
Cd Cd48 1 0.10580718 0.89422427 0.86283283 1.0
Cd Cd49 1 0.10580718 0.21158191 0.86283283 1.0
Cd Cd50 1 0.89419282 0.10577573 0.36283283 1.0
Cd Cd51 1 0.89419282 0.78841809 0.36283283 1.0
Cd Cd52 1 0.00004206 0.00002103 0.25039402 1.0
Cd Cd53 1 -0.00004206 -0.00002103 0.75039402 1.0
Rh Rh54 1 0.52084124 0.04170643 0.71165795 1.0
Rh Rh55 1 0.28548968 0.14274534 0.06255268 1.0
Rh Rh56 1 0.85723148 0.14269390 0.06255056 1.0
Rh Rh57 1 0.14276852 0.28546142 0.56255056 1.0
Rh Rh58 1 0.04172854 0.52086427 0.21165825 1.0
Rh Rh59 1 0.47915876 0.95829357 0.21165795 1.0
Rh Rh60 1 0.85723148 0.71453858 0.06255056 1.0
Rh Rh61 1 0.33338506 0.66669303 0.36320336 1.0
Rh Rh62 1 0.14276852 0.85730610 0.56255056 1.0
Rh Rh63 1 0.47915876 0.52086519 0.21165795 1.0
Rh Rh64 1 0.52084124 0.47913481 0.71165795 1.0
Rh Rh65 1 0.71451032 0.85725466 0.56255268 1.0
Rh Rh66 1 0.95827146 0.47913573 0.71165825 1.0
Rh Rh67 1 0.66661494 0.33330697 0.86320336 1.0