基础信息
化学式
Nb4Cr7Si8
MP-ID
mp-1220824
元素数
3
位点数
76
密度
6.2809
g/cm³
体积
1,015.51
ų
晶胞参数 a
4.8547
Å
晶胞参数 b
13.2310
Å
晶胞参数 c
15.8099
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
-0.38604
eV/atom
能量/原子
-14.84077
eV/atom
凸包距离
0.0144
eV/atom
未修正能量
-8.4328
eV/atom
体积/原子
13.36
ų
c/a 比
3.2566
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
4.0193
μB
磁有序
FM
磁性位点数
20
磁化强度/体积
0.003960
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
Si · 0.421
元素家族
N/A
溶质分数
0.579
间隙分数
0.421
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.464
家族
Si-rich Multi-Component
基质元素
Si · 0.421
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-1220824
参考引用
The crystal structure and related material properties of Nb4Cr7Si8 were obtained from the Materials Project database (MP-ID: mp-1220824, 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_Nb4Cr7Si8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85469600
_cell_length_b 13.23100900
_cell_length_c 15.80994100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb4Cr7Si8
_chemical_formula_sum 'Nb16 Cr28 Si32'
_cell_volume 1015.51245374
_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
Nb Nb0 1 0.25000000 0.56452400 0.30464900 1.0
Nb Nb1 1 0.25000000 0.06452400 0.19535100 1.0
Nb Nb2 1 0.75000000 0.43547600 0.69535100 1.0
Nb Nb3 1 0.75000000 0.93547600 0.80464900 1.0
Nb Nb4 1 0.25000000 0.74720600 0.02672400 1.0
Nb Nb5 1 0.25000000 0.24720600 0.47327600 1.0
Nb Nb6 1 0.75000000 0.25279400 0.97327600 1.0
Nb Nb7 1 0.75000000 0.75279400 0.52672400 1.0
Nb Nb8 1 0.25000000 0.86603600 0.45788100 1.0
Nb Nb9 1 0.25000000 0.36603600 0.04211900 1.0
Nb Nb10 1 0.75000000 0.13396400 0.54211900 1.0
Nb Nb11 1 0.75000000 0.63396400 0.95788100 1.0
Nb Nb12 1 0.25000000 0.62109700 0.50546700 1.0
Nb Nb13 1 0.25000000 0.12109700 0.99453300 1.0
Nb Nb14 1 0.75000000 0.37890300 0.49453300 1.0
Nb Nb15 1 0.75000000 0.87890300 0.00546700 1.0
Cr Cr16 1 0.25000000 0.81242400 0.74961800 1.0
Cr Cr17 1 0.25000000 0.31242400 0.75038200 1.0
Cr Cr18 1 0.75000000 0.18757600 0.25038200 1.0
Cr Cr19 1 0.75000000 0.68757600 0.24961800 1.0
Cr Cr20 1 0.01134700 0.55910800 0.12289900 1.0
Cr Cr21 1 0.48865300 0.05910800 0.37710100 1.0
Cr Cr22 1 0.51134700 0.44089200 0.87710100 1.0
Cr Cr23 1 0.98865300 0.94089200 0.62289900 1.0
Cr Cr24 1 0.98865300 0.44089200 0.87710100 1.0
Cr Cr25 1 0.51134700 0.94089200 0.62289900 1.0
Cr Cr26 1 0.48865300 0.55910800 0.12289900 1.0
Cr Cr27 1 0.01134700 0.05910800 0.37710100 1.0
Cr Cr28 1 0.99008600 0.86374500 0.17601900 1.0
Cr Cr29 1 0.50991400 0.36374500 0.32398100 1.0
Cr Cr30 1 0.49008600 0.13625500 0.82398100 1.0
Cr Cr31 1 0.00991400 0.63625500 0.67601900 1.0
Cr Cr32 1 0.00991400 0.13625500 0.82398100 1.0
Cr Cr33 1 0.49008600 0.63625500 0.67601900 1.0
Cr Cr34 1 0.50991400 0.86374500 0.17601900 1.0
Cr Cr35 1 0.99008600 0.36374500 0.32398100 1.0
Cr Cr36 1 0.25000000 0.63460200 0.84450300 1.0
Cr Cr37 1 0.25000000 0.13460200 0.65549700 1.0
Cr Cr38 1 0.75000000 0.36539800 0.15549700 1.0
Cr Cr39 1 0.75000000 0.86539800 0.34450300 1.0
Cr Cr40 1 0.25000000 0.95245500 0.90467100 1.0
Cr Cr41 1 0.25000000 0.45245500 0.59532900 1.0
Cr Cr42 1 0.75000000 0.04754500 0.09532900 1.0
Cr Cr43 1 0.75000000 0.54754500 0.40467100 1.0
Si Si44 1 0.25000000 0.94468800 0.06194500 1.0
Si Si45 1 0.25000000 0.44468800 0.43805500 1.0
Si Si46 1 0.75000000 0.05531200 0.93805500 1.0
Si Si47 1 0.75000000 0.55531200 0.56194500 1.0
Si Si48 1 0.99716900 0.71491800 0.37821600 1.0
Si Si49 1 0.50283100 0.21491800 0.12178400 1.0
Si Si50 1 0.49716900 0.28508200 0.62178400 1.0
Si Si51 1 0.00283100 0.78508200 0.87821600 1.0
Si Si52 1 0.00283100 0.28508200 0.62178400 1.0
Si Si53 1 0.49716900 0.78508200 0.87821600 1.0
Si Si54 1 0.50283100 0.71491800 0.37821600 1.0
Si Si55 1 0.99716900 0.21491800 0.12178400 1.0
Si Si56 1 0.25000000 0.54942400 0.98163000 1.0
Si Si57 1 0.25000000 0.04942400 0.51837000 1.0
Si Si58 1 0.75000000 0.45057600 0.01837000 1.0
Si Si59 1 0.75000000 0.95057600 0.48163000 1.0
Si Si60 1 0.25000000 0.77882600 0.60494100 1.0
Si Si61 1 0.25000000 0.27882600 0.89505900 1.0
Si Si62 1 0.75000000 0.22117400 0.39505900 1.0
Si Si63 1 0.75000000 0.72117400 0.10494100 1.0
Si Si64 1 0.25000000 0.91039700 0.30180300 1.0
Si Si65 1 0.25000000 0.41039700 0.19819700 1.0
Si Si66 1 0.75000000 0.08960300 0.69819700 1.0
Si Si67 1 0.75000000 0.58960300 0.80180300 1.0
Si Si68 1 0.25000000 0.99610400 0.75207000 1.0
Si Si69 1 0.25000000 0.49610400 0.74793000 1.0
Si Si70 1 0.75000000 0.00389600 0.24793000 1.0
Si Si71 1 0.75000000 0.50389600 0.25207000 1.0
Si Si72 1 0.25000000 0.70856900 0.19467000 1.0
Si Si73 1 0.25000000 0.20856900 0.30533000 1.0
Si Si74 1 0.75000000 0.29143100 0.80533000 1.0
Si Si75 1 0.75000000 0.79143100 0.69467000 1.0