基础信息
化学式
Cr11Ni40Mo9
MP-ID
mp-771746
元素数
3
位点数
120
密度
9.1679
g/cm³
体积
1,370.46
ų
晶胞参数 a
7.6512
Å
晶胞参数 b
11.2654
Å
晶胞参数 c
16.8339
Å
α 角
72.91
°
β 角
81.46
°
γ 角
85.34
°
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
-0.00003
eV/atom
能量/原子
-14.66208
eV/atom
凸包距离
0.0314
eV/atom
未修正能量
-7.2825
eV/atom
体积/原子
11.42
ų
c/a 比
2.2002
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
0.4438
μB
磁有序
FiM
磁性位点数
9
磁化强度/体积
0.000320
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
3d-TM
溶质分数
0.333
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
0.8659
高熵判据（>1.0 视为高熵）
混合熵 ΔS
7.1990
J/mol·K
Ω 参数
2.2979
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
4.151%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.1441
越小混合越稳定
VEC
8.667
价电子浓度，影响相稳定性
混合焓 ΔH_mix
-6.222
kJ/mol 且负值为放热混合
熵归一化
0.7882
固溶体倾向
1
相趋势
SS
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-771746
参考引用
The crystal structure and related material properties of Cr11Ni40Mo9 were obtained from the Materials Project database (MP-ID: mp-771746, 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_Cr11Ni40Mo9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65120187
_cell_length_b 11.26537553
_cell_length_c 16.83390571
_cell_angle_alpha 72.91170637
_cell_angle_beta 81.45854397
_cell_angle_gamma 85.34477735
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr11Ni40Mo9
_chemical_formula_sum 'Cr22 Ni80 Mo18'
_cell_volume 1370.45637763
_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
Cr Cr0 1 0.79823858 0.90271081 0.79844135 1.0
Cr Cr1 1 0.45210151 0.59767086 0.95156308 1.0
Cr Cr2 1 0.05093471 0.89802308 0.55113285 1.0
Cr Cr3 1 0.14844182 0.70330784 0.64851827 1.0
Cr Cr4 1 0.79988966 0.40033982 0.80025660 1.0
Cr Cr5 1 0.30075531 0.90015184 0.29993411 1.0
Cr Cr6 1 0.84784397 0.80275456 0.34841769 1.0
Cr Cr7 1 0.50014279 0.49977051 0.49943976 1.0
Cr Cr8 1 0.25033942 0.99896687 0.74997263 1.0
Cr Cr9 1 0.70198060 0.09684517 0.70134668 1.0
Cr Cr10 1 0.55156311 0.89683500 0.05175367 1.0
Cr Cr11 1 0.20185624 0.59698671 0.20131990 1.0
Cr Cr12 1 0.65011016 0.69964338 0.15017591 1.0
Cr Cr13 1 0.30064863 0.40010053 0.29973507 1.0
Cr Cr14 1 0.74953883 0.49960926 0.24995317 1.0
Cr Cr15 1 0.40022967 0.20003370 0.39963126 1.0
Cr Cr16 1 0.84831863 0.30228167 0.34859773 1.0
Cr Cr17 1 0.49913017 0.00272752 0.49838180 1.0
Cr Cr18 1 0.99923375 0.49992489 0.00044251 1.0
Cr Cr19 1 0.54955590 0.40060928 0.05024179 1.0
Cr Cr20 1 0.64964378 0.20016350 0.15052416 1.0
Cr Cr21 1 0.74975609 0.99997062 0.25029541 1.0
Ni Ni22 1 0.64994065 0.70062381 0.81686828 1.0
Ni Ni23 1 0.09924242 0.80067132 0.76493534 1.0
Ni Ni24 1 0.74900852 0.49874466 0.91677429 1.0
Ni Ni25 1 0.20085361 0.59852290 0.86790239 1.0
Ni Ni26 1 0.34685297 0.80164629 0.51691874 1.0
Ni Ni27 1 0.44875974 0.59968605 0.61451653 1.0
Ni Ni28 1 0.90413360 0.70139806 0.56641100 1.0
Ni Ni29 1 0.55222777 0.39929107 0.71673138 1.0
Ni Ni30 1 0.99963042 0.50011778 0.66661561 1.0
Ni Ni31 1 0.65225234 0.19974035 0.81463558 1.0
Ni Ni32 1 0.09772570 0.30038808 0.76602798 1.0
Ni Ni33 1 0.74892904 0.99720437 0.91577509 1.0
Ni Ni34 1 0.20083951 0.09814144 0.86455437 1.0
Ni Ni35 1 0.60152209 0.80067333 0.26587289 1.0
Ni Ni36 1 0.69959912 0.59906607 0.36558654 1.0
Ni Ni37 1 0.14990343 0.70104938 0.31465009 1.0
Ni Ni38 1 0.35249634 0.29992709 0.51449433 1.0
Ni Ni39 1 0.79769550 0.39920525 0.46470594 1.0
Ni Ni40 1 0.25359564 0.49890874 0.41522169 1.0
Ni Ni41 1 0.45227571 0.09716297 0.61642445 1.0
Ni Ni42 1 0.89856823 0.19824287 0.56712813 1.0
Ni Ni43 1 0.55149091 0.90181782 0.71663899 1.0
Ni Ni44 1 0.99826863 0.99824461 0.66667518 1.0
Ni Ni45 1 0.40348323 0.69894482 0.06658675 1.0
Ni Ni46 1 0.84607675 0.79866262 0.01756992 1.0
Ni Ni47 1 0.49982170 0.50001263 0.16661913 1.0
Ni Ni48 1 0.94831716 0.59751094 0.11692806 1.0
Ni Ni49 1 0.59971432 0.30020227 0.26668961 1.0
Ni Ni50 1 0.04969104 0.40069438 0.21756974 1.0
Ni Ni51 1 0.69802762 0.10003259 0.36595059 1.0
Ni Ni52 1 0.15140879 0.20175006 0.31646616 1.0
Ni Ni53 1 0.80004572 0.89947137 0.46554633 1.0
Ni Ni54 1 0.25279154 0.99934549 0.41592558 1.0
Ni Ni55 1 0.30115423 0.40226114 0.96673503 1.0
Ni Ni56 1 0.40374230 0.20135810 0.06653342 1.0
Ni Ni57 1 0.84660417 0.30089890 0.01737479 1.0
Ni Ni58 1 0.50261516 0.99902197 0.16669149 1.0
Ni Ni59 1 0.94602460 0.09913457 0.11759551 1.0
Ni Ni60 1 0.04781969 0.89883192 0.21790793 1.0
Ni Ni61 1 0.30253421 0.89877571 0.96666994 1.0
Ni Ni62 1 0.39746637 0.70126336 0.73309821 1.0
Ni Ni63 1 0.85286799 0.80182801 0.68389062 1.0
Ni Ni64 1 0.50213540 0.50114510 0.83516211 1.0
Ni Ni65 1 0.95003553 0.60014277 0.78335581 1.0
Ni Ni66 1 0.09900476 0.80304524 0.43310982 1.0
Ni Ni67 1 0.20199748 0.60114716 0.53468523 1.0
Ni Ni68 1 0.64950615 0.69999253 0.48298635 1.0
Ni Ni69 1 0.30214999 0.40110078 0.63286720 1.0
Ni Ni70 1 0.74712930 0.50091349 0.58302687 1.0
Ni Ni71 1 0.40170508 0.19792243 0.73383044 1.0
Ni Ni72 1 0.84780299 0.29990491 0.68550044 1.0
Ni Ni73 1 0.50227872 0.00068266 0.83186748 1.0
Ni Ni74 1 0.94817457 0.09753131 0.78334492 1.0
Ni Ni75 1 0.35275685 0.80004289 0.18434221 1.0
Ni Ni76 1 0.45070010 0.59927757 0.28213101 1.0
Ni Ni77 1 0.89756512 0.69872315 0.23465673 1.0
Ni Ni78 1 0.10151702 0.30068141 0.43205553 1.0
Ni Ni79 1 0.54998785 0.40031705 0.38321043 1.0
Ni Ni80 1 0.00095894 0.49920317 0.33229175 1.0
Ni Ni81 1 0.20281699 0.09889613 0.53265252 1.0
Ni Ni82 1 0.64778550 0.19949645 0.48235276 1.0
Ni Ni83 1 0.29691906 0.90119802 0.63364643 1.0
Ni Ni84 1 0.75027663 0.00088135 0.58412841 1.0
Ni Ni85 1 0.15077562 0.69797278 0.98418874 1.0
Ni Ni86 1 0.59941444 0.80053296 0.93440758 1.0
Ni Ni87 1 0.25160285 0.50199433 0.08348232 1.0
Ni Ni88 1 0.69859088 0.59877345 0.03443984 1.0
Ni Ni89 1 0.35349724 0.30191778 0.18393338 1.0
Ni Ni90 1 0.79666586 0.40068162 0.13394244 1.0
Ni Ni91 1 0.45241533 0.10015533 0.28395829 1.0
Ni Ni92 1 0.89567295 0.20026132 0.23488234 1.0
Ni Ni93 1 0.55146034 0.90160111 0.38319435 1.0
Ni Ni94 1 0.99855263 0.99833626 0.33345624 1.0
Ni Ni95 1 0.04637155 0.40210775 0.88491329 1.0
Ni Ni96 1 0.14952303 0.20074236 0.98423546 1.0
Ni Ni97 1 0.60062362 0.30252559 0.93408930 1.0
Ni Ni98 1 0.25237537 0.99956237 0.08436412 1.0
Ni Ni99 1 0.69800690 0.09985787 0.03549369 1.0
Ni Ni100 1 0.79603525 0.89940167 0.13502150 1.0
Ni Ni101 1 0.04902527 0.90093482 0.88233478 1.0
Mo Mo102 1 0.34978844 0.80017536 0.84991974 1.0
Mo Mo103 1 0.89976526 0.69971475 0.90024023 1.0
Mo Mo104 1 0.59814647 0.80402067 0.59816618 1.0
Mo Mo105 1 0.24851891 0.50421106 0.74813862 1.0
Mo Mo106 1 0.70140582 0.59707451 0.70172410 1.0
Mo Mo107 1 0.34996100 0.30029954 0.85013844 1.0
Mo Mo108 1 0.45266983 0.09618255 0.95188660 1.0
Mo Mo109 1 0.89717504 0.20382615 0.89815229 1.0
Mo Mo110 1 0.40002692 0.70020727 0.39962908 1.0
Mo Mo111 1 0.04976819 0.40003641 0.54967195 1.0
Mo Mo112 1 0.94898822 0.60404553 0.44743088 1.0
Mo Mo113 1 0.15250620 0.19539711 0.65167331 1.0
Mo Mo114 1 0.59995301 0.29970991 0.59954233 1.0
Mo Mo115 1 0.10157857 0.79545103 0.10250026 1.0
Mo Mo116 1 0.95037233 0.09959167 0.44973789 1.0
Mo Mo117 1 0.09746402 0.30475095 0.09867955 1.0
Mo Mo118 1 0.20235333 0.09647527 0.20228542 1.0
Mo Mo119 1 0.99947344 0.99932274 0.00045197 1.0