基础信息
化学式
Nd23Mg4Rh7
MP-ID
mp-568485
元素数
3
位点数
68
密度
6.8752
g/cm³
体积
1,997.49
ų
晶胞参数 a
10.0801
Å
晶胞参数 b
10.0801
Å
晶胞参数 c
22.6999
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
-0.38331
eV/atom
能量/原子
-5.31682
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-5.3168
eV/atom
体积/原子
29.37
ų
c/a 比
2.2520
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
0.0002
μB
磁有序
NM
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 · 0.676
元素家族
N/A
溶质分数
0.324
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.638
家族
Nd-rich Multi-Component
基质元素
Nd · 0.676
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-568485
参考引用
The crystal structure and related material properties of Nd23Mg4Rh7 were obtained from the Materials Project database (MP-ID: mp-568485, 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
加载 3D 结构...
样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Nd23Mg4Rh7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.08008402
_cell_length_b 10.08008414
_cell_length_c 22.69994118
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999961
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd23Mg4Rh7
_chemical_formula_sum 'Nd46 Mg8 Rh14'
_cell_volume 1997.48567978
_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 0.45788635 0.91577270 0.85791800 1.0
Nd Nd1 1 0.00000000 0.00000000 0.99926136 1.0
Nd Nd2 1 0.74427148 0.87213574 0.13581236 1.0
Nd Nd3 1 0.87213574 0.74427148 0.63581236 1.0
Nd Nd4 1 0.79186341 0.20813659 0.94871051 1.0
Nd Nd5 1 0.20855246 0.41710491 0.72094164 1.0
Nd Nd6 1 0.58289509 0.79144754 0.72094164 1.0
Nd Nd7 1 0.54211365 0.08422730 0.35791800 1.0
Nd Nd8 1 0.78936663 0.57873326 0.49183516 1.0
Nd Nd9 1 0.54020272 0.45979728 0.08563246 1.0
Nd Nd10 1 0.79144754 0.58289509 0.22094164 1.0
Nd Nd11 1 0.41627319 0.20813659 0.94871051 1.0
Nd Nd12 1 0.78936663 0.21063337 0.49183516 1.0
Nd Nd13 1 0.21063337 0.42126674 0.99183516 1.0
Nd Nd14 1 0.25572852 0.12786426 0.63581236 1.0
Nd Nd15 1 0.45788635 0.54211365 0.85791800 1.0
Nd Nd16 1 0.40985851 0.20492925 0.78260793 1.0
Nd Nd17 1 0.79144754 0.20855246 0.22094164 1.0
Nd Nd18 1 0.79507075 0.20492925 0.78260793 1.0
Nd Nd19 1 0.21063337 0.78936663 0.99183516 1.0
Nd Nd20 1 0.42126674 0.21063337 0.49183516 1.0
Nd Nd21 1 0.58372681 0.79186341 0.44871051 1.0
Nd Nd22 1 0.20813659 0.41627319 0.44871051 1.0
Nd Nd23 1 0.12786426 0.25572852 0.13581236 1.0
Nd Nd24 1 0.08040544 0.54020272 0.58563246 1.0
Nd Nd25 1 0.66666700 0.33333300 0.64480219 1.0
Nd Nd26 1 0.79507075 0.59014149 0.78260793 1.0
Nd Nd27 1 0.87213574 0.12786426 0.63581236 1.0
Nd Nd28 1 0.79186341 0.58372681 0.94871051 1.0
Nd Nd29 1 0.57873326 0.78936663 0.99183516 1.0
Nd Nd30 1 0.20492925 0.79507075 0.28260793 1.0
Nd Nd31 1 0.45979728 0.91959456 0.58563246 1.0
Nd Nd32 1 0.20855246 0.79144754 0.72094164 1.0
Nd Nd33 1 0.41710491 0.20855246 0.22094164 1.0
Nd Nd34 1 0.91959456 0.45979728 0.08563246 1.0
Nd Nd35 1 0.12786426 0.87213574 0.13581236 1.0
Nd Nd36 1 0.59014149 0.79507075 0.28260793 1.0
Nd Nd37 1 0.45979728 0.54020272 0.58563246 1.0
Nd Nd38 1 0.91577270 0.45788635 0.35791800 1.0
Nd Nd39 1 0.00000000 0.00000000 0.49926136 1.0
Nd Nd40 1 0.33333300 0.66666700 0.14480219 1.0
Nd Nd41 1 0.08422730 0.54211365 0.85791800 1.0
Nd Nd42 1 0.54211365 0.45788635 0.35791800 1.0
Nd Nd43 1 0.54020272 0.08040544 0.08563246 1.0
Nd Nd44 1 0.20492925 0.40985851 0.28260793 1.0
Nd Nd45 1 0.20813659 0.79186341 0.44871051 1.0
Mg Mg46 1 0.00000000 0.00000000 0.25109715 1.0
Mg Mg47 1 0.10631085 0.21262171 0.86397505 1.0
Mg Mg48 1 0.10631085 0.89368915 0.86397505 1.0
Mg Mg49 1 0.89368915 0.78737829 0.36397505 1.0
Mg Mg50 1 0.78737829 0.89368915 0.86397505 1.0
Mg Mg51 1 0.21262171 0.10631085 0.36397505 1.0
Mg Mg52 1 0.00000000 0.00000000 0.75109715 1.0
Mg Mg53 1 0.89368915 0.10631085 0.36397505 1.0
Rh Rh54 1 0.66666700 0.33333300 0.86424094 1.0
Rh Rh55 1 0.52173973 0.04347946 0.71046730 1.0
Rh Rh56 1 0.47826027 0.52173973 0.21046730 1.0
Rh Rh57 1 0.04347946 0.52173973 0.21046730 1.0
Rh Rh58 1 0.47826027 0.95652054 0.21046730 1.0
Rh Rh59 1 0.14300800 0.28601601 0.56406904 1.0
Rh Rh60 1 0.85699200 0.71398399 0.06406904 1.0
Rh Rh61 1 0.85699200 0.14300800 0.06406904 1.0
Rh Rh62 1 0.33333300 0.66666700 0.36424094 1.0
Rh Rh63 1 0.95652054 0.47826027 0.71046730 1.0
Rh Rh64 1 0.28601601 0.14300800 0.06406904 1.0
Rh Rh65 1 0.52173973 0.47826027 0.71046730 1.0
Rh Rh66 1 0.14300800 0.85699200 0.56406904 1.0
Rh Rh67 1 0.71398399 0.85699200 0.56406904 1.0