基础信息
化学式
Cr7Ni20Mo3
MP-ID
mp-768654
元素数
3
位点数
90
密度
8.7157
g/cm³
体积
1,043.49
ų
晶胞参数 a
6.2327
Å
晶胞参数 b
11.6431
Å
晶胞参数 c
15.2745
Å
α 角
70.30
°
β 角
89.50
°
γ 角
89.58
°
空间群
P1
点群
1
晶体系统
Triclinic
Bravais 格子
aP
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.00119
eV/atom
能量/原子
-14.11093
eV/atom
凸包距离
0.0222
eV/atom
未修正能量
-7.2170
eV/atom
体积/原子
11.59
ų
c/a 比
2.4507
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
0.2040
μB
磁有序
FM
磁性位点数
2
磁化强度/体积
0.000200
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
Ni · 0.667
元素家族
N/A
溶质分数
0.333
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.830
家族
Ni-based Alloy
基质元素
Ni · 0.667
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-768654
参考引用
The crystal structure and related material properties of Cr7Ni20Mo3 were obtained from the Materials Project database (MP-ID: mp-768654, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Cr7Ni20Mo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23265400
_cell_length_b 11.64311820
_cell_length_c 15.27450417
_cell_angle_alpha 70.29754491
_cell_angle_beta 89.50201629
_cell_angle_gamma 89.58041706
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr7Ni20Mo3
_chemical_formula_sum 'Cr21 Ni60 Mo9'
_cell_volume 1043.49023029
_cell_formula_units_Z 3
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
Cr Cr0 1 0.33551500 0.93154600 0.43336500 1.0
Cr Cr1 1 0.00571700 0.79768000 0.29725900 1.0
Cr Cr2 1 0.33432100 0.73347200 0.23312300 1.0
Cr Cr3 1 0.99955400 0.60125100 0.09912200 1.0
Cr Cr4 1 0.66889000 0.66726800 0.16577500 1.0
Cr Cr5 1 0.33245800 0.53434600 0.03194000 1.0
Cr Cr6 1 0.99983500 0.79885900 0.80181900 1.0
Cr Cr7 1 0.67285100 0.86403700 0.86631600 1.0
Cr Cr8 1 0.33609200 0.73107200 0.73371600 1.0
Cr Cr9 1 0.65870900 0.66679800 0.66992700 1.0
Cr Cr10 1 0.33842400 0.53224100 0.53247200 1.0
Cr Cr11 1 0.99204300 0.40366500 0.40088700 1.0
Cr Cr12 1 0.66530100 0.46795300 0.46677600 1.0
Cr Cr13 1 0.34080400 0.13191000 0.13054000 1.0
Cr Cr14 1 0.99651300 0.00021100 0.00113600 1.0
Cr Cr15 1 0.66727000 0.06649300 0.06540600 1.0
Cr Cr16 1 0.99949000 0.40044700 0.90047500 1.0
Cr Cr17 1 0.66494400 0.46774000 0.96575200 1.0
Cr Cr18 1 0.33386600 0.33372600 0.83384700 1.0
Cr Cr19 1 0.66009400 0.26887900 0.76916600 1.0
Cr Cr20 1 0.33153600 0.13354900 0.63429400 1.0
Ni Ni21 1 0.32981900 0.73135600 0.40070300 1.0
Ni Ni22 1 0.00319200 0.60013600 0.26621800 1.0
Ni Ni23 1 0.66702800 0.66480400 0.33292700 1.0
Ni Ni24 1 0.33599600 0.53578200 0.19861400 1.0
Ni Ni25 1 0.99808000 0.40263700 0.06449400 1.0
Ni Ni26 1 0.66631500 0.46995800 0.13094600 1.0
Ni Ni27 1 0.33145500 0.33326300 0.99936600 1.0
Ni Ni28 1 0.33212400 0.73126500 0.89870400 1.0
Ni Ni29 1 0.00041500 0.60025800 0.76948300 1.0
Ni Ni30 1 0.66621600 0.66582900 0.83404400 1.0
Ni Ni31 1 0.33605900 0.53318800 0.70131800 1.0
Ni Ni32 1 0.99862600 0.40165600 0.56461700 1.0
Ni Ni33 1 0.66382300 0.46576300 0.63467300 1.0
Ni Ni34 1 0.33353000 0.33428700 0.50239700 1.0
Ni Ni35 1 0.99832900 0.20051700 0.36749900 1.0
Ni Ni36 1 0.67007000 0.27040200 0.43507300 1.0
Ni Ni37 1 0.33370400 0.12834500 0.30121700 1.0
Ni Ni38 1 0.99878600 0.99690200 0.16495300 1.0
Ni Ni39 1 0.66381500 0.06513600 0.23004200 1.0
Ni Ni40 1 0.33428900 0.93300500 0.10141700 1.0
Ni Ni41 1 0.99752700 0.79780200 0.96745100 1.0
Ni Ni42 1 0.67082200 0.86593500 0.03393600 1.0
Ni Ni43 1 0.00182300 0.19889900 0.86868900 1.0
Ni Ni44 1 0.66699000 0.26674400 0.93278000 1.0
Ni Ni45 1 0.33574000 0.13506600 0.80003000 1.0
Ni Ni46 1 0.00238300 0.99686200 0.66992000 1.0
Ni Ni47 1 0.66193700 0.06484300 0.73710100 1.0
Ni Ni48 1 0.33481300 0.92922800 0.60220000 1.0
Ni Ni49 1 0.00356700 0.79770800 0.46555700 1.0
Ni Ni50 1 0.66629100 0.86147000 0.53639300 1.0
Ni Ni51 1 0.33561600 0.73386500 0.56677100 1.0
Ni Ni52 1 0.99766500 0.60006300 0.43107900 1.0
Ni Ni53 1 0.66264800 0.66345000 0.50093300 1.0
Ni Ni54 1 0.33321600 0.53619300 0.36765900 1.0
Ni Ni55 1 0.99906600 0.40606300 0.23094600 1.0
Ni Ni56 1 0.66960300 0.47144500 0.29974900 1.0
Ni Ni57 1 0.33329200 0.33667200 0.16255600 1.0
Ni Ni58 1 0.33459900 0.73209500 0.06718900 1.0
Ni Ni59 1 0.99918300 0.60141500 0.93289300 1.0
Ni Ni60 1 0.66519800 0.66837700 0.99857300 1.0
Ni Ni61 1 0.33312900 0.53348500 0.86591200 1.0
Ni Ni62 1 0.99988200 0.40002900 0.73591500 1.0
Ni Ni63 1 0.66732700 0.46796600 0.79986600 1.0
Ni Ni64 1 0.33333200 0.33648200 0.66669600 1.0
Ni Ni65 1 0.00378400 0.20348600 0.53196000 1.0
Ni Ni66 1 0.66257500 0.27056700 0.60073000 1.0
Ni Ni67 1 0.33524200 0.13323300 0.46710100 1.0
Ni Ni68 1 0.00183900 0.99811400 0.33151400 1.0
Ni Ni69 1 0.66443700 0.06636800 0.39977600 1.0
Ni Ni70 1 0.32973800 0.93303100 0.26516400 1.0
Ni Ni71 1 0.00302200 0.79969800 0.13227800 1.0
Ni Ni72 1 0.66766000 0.86599600 0.19739900 1.0
Ni Ni73 1 0.99903700 0.19995700 0.03107600 1.0
Ni Ni74 1 0.66334500 0.26822400 0.09551200 1.0
Ni Ni75 1 0.33424300 0.13542400 0.96688300 1.0
Ni Ni76 1 0.99678000 0.99758900 0.83484100 1.0
Ni Ni77 1 0.67059800 0.06843200 0.90062300 1.0
Ni Ni78 1 0.33258300 0.93236500 0.76527300 1.0
Ni Ni79 1 0.99982400 0.79808800 0.63696900 1.0
Ni Ni80 1 0.66751200 0.86326500 0.70320600 1.0
Mo Mo81 1 0.66488400 0.86546900 0.36632600 1.0
Mo Mo82 1 0.33521600 0.93267600 0.93336700 1.0
Mo Mo83 1 0.00023000 0.59933800 0.60085700 1.0
Mo Mo84 1 0.32443500 0.33662600 0.33459500 1.0
Mo Mo85 1 0.00798700 0.19912300 0.19682100 1.0
Mo Mo86 1 0.66570900 0.26827900 0.26519800 1.0
Mo Mo87 1 0.99850900 0.20029500 0.70074300 1.0
Mo Mo88 1 0.00768100 0.99679400 0.49924600 1.0
Mo Mo89 1 0.66158200 0.06777500 0.56992700 1.0