基础信息
化学式
Nd26Ga7Co10
MP-ID
mp-1202605
元素数
3
位点数
86
密度
7.2755
g/cm³
体积
2,203.73
ų
晶胞参数 a
11.9508
Å
晶胞参数 b
11.9508
Å
晶胞参数 c
15.4300
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P4/mbm
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.23586
eV/atom
能量/原子
-5.27080
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-5.2708
eV/atom
体积/原子
25.62
ų
c/a 比
1.2911
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
0.2282
μB
磁有序
AFM
磁性位点数
8
磁化强度/体积
0.000100
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 · 0.605
元素家族
Lanthanide
溶质分数
0.395
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
0.9389
高熵判据（>1.0 视为高熵）
混合熵 ΔS
7.8062
J/mol·K
Ω 参数
0.4219
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
16.879%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.3484
越小混合越稳定
VEC
4.395
价电子浓度，影响相稳定性
混合焓 ΔH_mix
-23.031
kJ/mol 且负值为放热混合
熵归一化
0.8546
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-1202605
参考引用
The crystal structure and related material properties of Nd26Ga7Co10 were obtained from the Materials Project database (MP-ID: mp-1202605, 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_Nd26Ga7Co10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.95075000
_cell_length_b 11.95075000
_cell_length_c 15.43004400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd26Ga7Co10
_chemical_formula_sum 'Nd52 Ga14 Co20'
_cell_volume 2203.72545053
_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 0.57441300 0.70638800 0.88165900 1.0
Nd Nd1 1 0.42558700 0.29361200 0.88165900 1.0
Nd Nd2 1 0.92558700 0.20638800 0.88165900 1.0
Nd Nd3 1 0.07441300 0.79361200 0.88165900 1.0
Nd Nd4 1 0.70638800 0.42558700 0.88165900 1.0
Nd Nd5 1 0.29361200 0.57441300 0.88165900 1.0
Nd Nd6 1 0.20638800 0.07441300 0.88165900 1.0
Nd Nd7 1 0.79361200 0.92558700 0.88165900 1.0
Nd Nd8 1 0.42558700 0.29361200 0.11834100 1.0
Nd Nd9 1 0.57441300 0.70638800 0.11834100 1.0
Nd Nd10 1 0.07441300 0.79361200 0.11834100 1.0
Nd Nd11 1 0.92558700 0.20638800 0.11834100 1.0
Nd Nd12 1 0.29361200 0.57441300 0.11834100 1.0
Nd Nd13 1 0.70638800 0.42558700 0.11834100 1.0
Nd Nd14 1 0.79361200 0.92558700 0.11834100 1.0
Nd Nd15 1 0.20638800 0.07441300 0.11834100 1.0
Nd Nd16 1 0.70620700 0.58062200 0.68743400 1.0
Nd Nd17 1 0.29379300 0.41937800 0.68743400 1.0
Nd Nd18 1 0.79379300 0.08062200 0.68743400 1.0
Nd Nd19 1 0.20620700 0.91937800 0.68743400 1.0
Nd Nd20 1 0.58062200 0.29379300 0.68743400 1.0
Nd Nd21 1 0.41937800 0.70620700 0.68743400 1.0
Nd Nd22 1 0.08062200 0.20620700 0.68743400 1.0
Nd Nd23 1 0.91937800 0.79379300 0.68743400 1.0
Nd Nd24 1 0.29379300 0.41937800 0.31256600 1.0
Nd Nd25 1 0.70620700 0.58062200 0.31256600 1.0
Nd Nd26 1 0.20620700 0.91937800 0.31256600 1.0
Nd Nd27 1 0.79379300 0.08062200 0.31256600 1.0
Nd Nd28 1 0.41937800 0.70620700 0.31256600 1.0
Nd Nd29 1 0.58062200 0.29379300 0.31256600 1.0
Nd Nd30 1 0.91937800 0.79379300 0.31256600 1.0
Nd Nd31 1 0.08062200 0.20620700 0.31256600 1.0
Nd Nd32 1 0.58578400 0.70444100 0.50000000 1.0
Nd Nd33 1 0.41421600 0.29555900 0.50000000 1.0
Nd Nd34 1 0.91421600 0.20444100 0.50000000 1.0
Nd Nd35 1 0.08578400 0.79555900 0.50000000 1.0
Nd Nd36 1 0.70444100 0.41421600 0.50000000 1.0
Nd Nd37 1 0.29555900 0.58578400 0.50000000 1.0
Nd Nd38 1 0.20444100 0.08578400 0.50000000 1.0
Nd Nd39 1 0.79555900 0.91421600 0.50000000 1.0
Nd Nd40 1 0.34103100 0.84103100 0.00000000 1.0
Nd Nd41 1 0.65896900 0.15896900 0.00000000 1.0
Nd Nd42 1 0.15896900 0.34103100 0.00000000 1.0
Nd Nd43 1 0.84103100 0.65896900 0.00000000 1.0
Nd Nd44 1 0.00000000 0.50000000 0.61529200 1.0
Nd Nd45 1 0.50000000 0.00000000 0.61529200 1.0
Nd Nd46 1 0.00000000 0.50000000 0.38470800 1.0
Nd Nd47 1 0.50000000 0.00000000 0.38470800 1.0
Nd Nd48 1 0.00000000 0.50000000 0.84270400 1.0
Nd Nd49 1 0.50000000 0.00000000 0.84270400 1.0
Nd Nd50 1 0.00000000 0.50000000 0.15729600 1.0
Nd Nd51 1 0.50000000 0.00000000 0.15729600 1.0
Ga Ga52 1 0.16224600 0.66224600 0.70705500 1.0
Ga Ga53 1 0.83775400 0.33775400 0.70705500 1.0
Ga Ga54 1 0.33775400 0.16224600 0.70705500 1.0
Ga Ga55 1 0.66224600 0.83775400 0.70705500 1.0
Ga Ga56 1 0.83775400 0.33775400 0.29294500 1.0
Ga Ga57 1 0.16224600 0.66224600 0.29294500 1.0
Ga Ga58 1 0.66224600 0.83775400 0.29294500 1.0
Ga Ga59 1 0.33775400 0.16224600 0.29294500 1.0
Ga Ga60 1 0.34752000 0.84752000 0.50000000 1.0
Ga Ga61 1 0.65248000 0.15248000 0.50000000 1.0
Ga Ga62 1 0.15248000 0.34752000 0.50000000 1.0
Ga Ga63 1 0.84752000 0.65248000 0.50000000 1.0
Ga Ga64 1 0.50000000 0.50000000 0.00000000 1.0
Ga Ga65 1 0.00000000 0.00000000 0.00000000 1.0
Co Co66 1 0.30503000 0.80503000 0.82030600 1.0
Co Co67 1 0.69497000 0.19497000 0.82030600 1.0
Co Co68 1 0.19497000 0.30503000 0.82030600 1.0
Co Co69 1 0.80503000 0.69497000 0.82030600 1.0
Co Co70 1 0.69497000 0.19497000 0.17969400 1.0
Co Co71 1 0.30503000 0.80503000 0.17969400 1.0
Co Co72 1 0.80503000 0.69497000 0.17969400 1.0
Co Co73 1 0.19497000 0.30503000 0.17969400 1.0
Co Co74 1 0.09239800 0.59239800 0.00000000 1.0
Co Co75 1 0.90760200 0.40760200 0.00000000 1.0
Co Co76 1 0.40760200 0.09239800 0.00000000 1.0
Co Co77 1 0.59239800 0.90760200 0.00000000 1.0
Co Co78 1 0.50000000 0.50000000 0.59168000 1.0
Co Co79 1 0.00000000 0.00000000 0.59168000 1.0
Co Co80 1 0.50000000 0.50000000 0.40832000 1.0
Co Co81 1 0.00000000 0.00000000 0.40832000 1.0
Co Co82 1 0.50000000 0.50000000 0.77182100 1.0
Co Co83 1 0.00000000 0.00000000 0.77182100 1.0
Co Co84 1 0.50000000 0.50000000 0.22817900 1.0
Co Co85 1 0.00000000 0.00000000 0.22817900 1.0