基础信息
化学式
Al119Cr16Fe13
MP-ID
mp-1215162
元素数
3
位点数
148
密度
3.4635
g/cm³
体积
2,286.35
ų
晶胞参数 a
12.2050
Å
晶胞参数 b
12.5391
Å
晶胞参数 c
17.3506
Å
α 角
111.55
°
β 角
110.59
°
γ 角
90.00
°
空间群
Cm
点群
m
晶体系统
Monoclinic
Bravais 格子
mC
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.09723
eV/atom
能量/原子
-4.89644
eV/atom
凸包距离
0.1027
eV/atom
未修正能量
-4.8964
eV/atom
体积/原子
15.45
ų
c/a 比
1.4216
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
7.7518
μB
磁有序
FiM
磁性位点数
25
磁化强度/体积
0.003390
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
Al · 0.804
元素家族
N/A
溶质分数
0.196
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.785
家族
Al-based Alloy
基质元素
Al · 0.804
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-1215162
参考引用
The crystal structure and related material properties of Al119Cr16Fe13 were obtained from the Materials Project database (MP-ID: mp-1215162, 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_Al119Cr16Fe13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.20500227
_cell_length_b 12.53911756
_cell_length_c 17.35057508
_cell_angle_alpha 111.54855206
_cell_angle_beta 110.59240200
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al119Cr16Fe13
_chemical_formula_sum 'Al119 Cr16 Fe13'
_cell_volume 2286.35155994
_cell_formula_units_Z 1
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
Al Al0 1 0.94060163 0.45326863 0.88120326 1.0
Al Al1 1 0.29284764 0.54110047 0.21593993 1.0
Al Al2 1 0.92309229 0.54110047 0.21593993 1.0
Al Al3 1 0.93926775 0.68000735 0.87853551 1.0
Al Al4 1 0.59041697 0.59470312 0.18083395 1.0
Al Al5 1 0.29281878 0.72479048 0.58563755 1.0
Al Al6 1 0.38066157 0.01245756 0.38960417 1.0
Al Al7 1 0.00894260 0.01245756 0.38960417 1.0
Al Al8 1 0.80021814 0.24922863 0.85038136 1.0
Al Al9 1 0.05016322 0.24922863 0.85038136 1.0
Al Al10 1 0.68937624 0.62960084 0.76465293 1.0
Al Al11 1 0.07527669 0.62960084 0.76465293 1.0
Al Al12 1 0.50563070 0.02571110 0.01126141 1.0
Al Al13 1 0.52778792 0.84153130 0.62233794 1.0
Al Al14 1 0.09455001 0.84153130 0.62233794 1.0
Al Al15 1 0.73121937 0.36058945 0.46243875 1.0
Al Al16 1 0.29569294 0.92640666 0.20738026 1.0
Al Al17 1 0.91168731 0.92640666 0.20738026 1.0
Al Al18 1 0.49963383 0.44289888 0.64447745 1.0
Al Al19 1 0.14484362 0.44289888 0.64447745 1.0
Al Al20 1 0.55828610 0.69365724 0.88425135 1.0
Al Al21 1 0.32596526 0.69365724 0.88425135 1.0
Al Al22 1 0.99747778 0.24795477 0.99495555 1.0
Al Al23 1 0.79304367 0.10117264 0.94269276 1.0
Al Al24 1 0.14964909 0.10117264 0.94269276 1.0
Al Al25 1 0.53645756 0.59460131 0.32538181 1.0
Al Al26 1 0.78892425 0.59460131 0.32538181 1.0
Al Al27 1 0.54949428 0.98554805 0.32245756 1.0
Al Al28 1 0.77296328 0.98554805 0.32245756 1.0
Al Al29 1 0.66491874 0.30161889 0.96006044 1.0
Al Al30 1 0.29514170 0.30161889 0.96006044 1.0
Al Al31 1 0.49460500 0.00182485 0.55459855 1.0
Al Al32 1 0.05999355 0.00182485 0.55459855 1.0
Al Al33 1 0.26271640 0.77061336 0.29513143 1.0
Al Al34 1 0.03241503 0.77061336 0.29513143 1.0
Al Al35 1 0.12939133 0.45981261 0.03203276 1.0
Al Al36 1 0.90264143 0.45981261 0.03203276 1.0
Al Al37 1 0.77494422 0.59558205 0.93920970 1.0
Al Al38 1 0.16426548 0.59558205 0.93920970 1.0
Al Al39 1 0.72419977 0.75408272 0.44839954 1.0
Al Al40 1 0.37096298 0.91085156 0.74192597 1.0
Al Al41 1 0.81537751 0.85817467 0.85425478 1.0
Al Al42 1 0.03887726 0.85817467 0.85425478 1.0
Al Al43 1 0.08232999 0.20941185 0.16465999 1.0
Al Al44 1 0.45910255 0.38483175 0.14495647 1.0
Al Al45 1 0.68585392 0.38483175 0.14495647 1.0
Al Al46 1 0.55543739 0.07202775 0.88183253 1.0
Al Al47 1 0.32639514 0.07202775 0.88183253 1.0
Al Al48 1 0.08289948 0.81858185 0.16579896 1.0
Al Al49 1 0.50575959 0.63482289 0.01151919 1.0
Al Al50 1 0.69353735 0.40498955 0.77213542 1.0
Al Al51 1 0.07859808 0.40498955 0.77213542 1.0
Al Al52 1 0.86143798 0.88378049 0.72287595 1.0
Al Al53 1 0.67792642 0.92006052 0.97042162 1.0
Al Al54 1 0.29249519 0.92006052 0.97042162 1.0
Al Al55 1 0.21718019 0.93170598 0.43436038 1.0
Al Al56 1 0.68281079 0.54662512 0.59007806 1.0
Al Al57 1 0.90726728 0.54662512 0.59007806 1.0
Al Al58 1 0.51061457 0.44494797 0.40796067 1.0
Al Al59 1 0.89734610 0.44494797 0.40796067 1.0
Al Al60 1 0.37497007 0.49160309 0.74994013 1.0
Al Al61 1 0.57869971 0.82838905 0.78672594 1.0
Al Al62 1 0.20802623 0.82838905 0.78672594 1.0
Al Al63 1 0.23715340 0.06308428 0.11216066 1.0
Al Al64 1 0.87500726 0.06308428 0.11216066 1.0
Al Al65 1 0.42534334 0.25020766 0.23736433 1.0
Al Al66 1 0.81202099 0.25020766 0.23736433 1.0
Al Al67 1 0.48066441 0.08528852 0.72507757 1.0
Al Al68 1 0.24441316 0.08528852 0.72507757 1.0
Al Al69 1 0.08246904 0.61016090 0.16493807 1.0
Al Al70 1 0.33364892 0.55157747 0.44489602 1.0
Al Al71 1 0.11124710 0.55157747 0.44489602 1.0
Al Al72 1 0.64932356 0.16674434 0.29864711 1.0
Al Al73 1 0.43795152 0.74297710 0.23332108 1.0
Al Al74 1 0.79536956 0.74297710 0.23332108 1.0
Al Al75 1 0.12699596 0.82541173 0.02721129 1.0
Al Al76 1 0.90021533 0.82541173 0.02721129 1.0
Al Al77 1 0.67946165 0.30710786 0.58938049 1.0
Al Al78 1 0.90991884 0.30710786 0.58938049 1.0
Al Al79 1 0.46531052 0.20974435 0.55456284 1.0
Al Al80 1 0.08925232 0.20974435 0.55456284 1.0
Al Al81 1 0.34926852 0.35263512 0.46874099 1.0
Al Al82 1 0.11947247 0.35263512 0.46874099 1.0
Al Al83 1 0.35091581 0.78157464 0.06446105 1.0
Al Al84 1 0.71354525 0.78157464 0.06446105 1.0
Al Al85 1 0.51141865 0.22050041 0.40912997 1.0
Al Al86 1 0.89771132 0.22050041 0.40912997 1.0
Al Al87 1 0.64788915 0.39308384 0.29577830 1.0
Al Al88 1 0.72766135 0.95999904 0.45532270 1.0
Al Al89 1 0.50583107 0.23443342 0.01166215 1.0
Al Al90 1 0.29560832 0.11440690 0.59121664 1.0
Al Al91 1 0.86232039 0.09042819 0.72464078 1.0
Al Al92 1 0.36909054 0.69235287 0.73818107 1.0
Al Al93 1 0.85766936 0.48870247 0.71533873 1.0
Al Al94 1 0.23650964 0.30212758 0.10723942 1.0
Al Al95 1 0.87072978 0.30212758 0.10723942 1.0
Al Al96 1 0.25884193 0.38577876 0.28644096 1.0
Al Al97 1 0.02759903 0.38577876 0.28644096 1.0
Al Al98 1 0.26372746 0.15769838 0.29434299 1.0
Al Al99 1 0.03061553 0.15769838 0.29434299 1.0
Al Al100 1 0.46150688 0.01933218 0.14936243 1.0
Al Al101 1 0.68785555 0.01933218 0.14936243 1.0
Al Al102 1 0.56035430 0.45602836 0.88904904 1.0
Al Al103 1 0.32869474 0.45602836 0.88904904 1.0
Al Al104 1 0.49445233 0.63006652 0.61313029 1.0
Al Al105 1 0.11867796 0.63006652 0.61313029 1.0
Al Al106 1 0.58813458 0.84157850 0.17626915 1.0
Al Al107 1 0.00008188 0.00030327 0.00016377 1.0
Al Al108 1 0.52162418 0.82893554 0.41709887 1.0
Al Al109 1 0.89547468 0.82893554 0.41709887 1.0
Al Al110 1 0.34528549 0.75919886 0.45335914 1.0
Al Al111 1 0.10807364 0.75919886 0.45335914 1.0
Al Al112 1 0.69351918 0.01469583 0.75907372 1.0
Al Al113 1 0.06555453 0.01469583 0.75907372 1.0
Al Al114 1 0.21845542 0.14992364 0.43691084 1.0
Al Al115 1 0.47802746 0.29134020 0.72860384 1.0
Al Al116 1 0.25057638 0.29134020 0.72860384 1.0
Al Al117 1 0.35151404 0.54112156 0.06879430 1.0
Al Al118 1 0.71728026 0.54112156 0.06879430 1.0
Cr Cr119 1 0.29274783 0.52468748 0.58549567 1.0
Cr Cr120 1 0.56999642 0.67507910 0.49850169 1.0
Cr Cr121 1 0.92850527 0.67507910 0.49850169 1.0
Cr Cr122 1 0.65492895 0.17013796 0.67860477 1.0
Cr Cr123 1 0.02367583 0.17013796 0.67860477 1.0
Cr Cr124 1 0.58140390 0.20844629 0.16280781 1.0
Cr Cr125 1 0.72481086 0.55069756 0.44962172 1.0
Cr Cr126 1 0.86399340 0.29775567 0.72798680 1.0
Cr Cr127 1 0.07599040 0.39954438 0.15198079 1.0
Cr Cr128 1 0.79254719 0.71623734 0.58509438 1.0
Cr Cr129 1 0.79567502 0.13573709 0.59135004 1.0
Cr Cr130 1 0.70144620 0.92029023 0.58856450 1.0
Cr Cr131 1 0.88711830 0.92029023 0.58856450 1.0
Cr Cr132 1 0.72467008 0.15881504 0.44934016 1.0
Cr Cr133 1 0.51120686 0.44460244 0.02241371 1.0
Cr Cr134 1 0.00692595 0.63610344 0.01385190 1.0
Fe Fe135 1 0.34911558 0.14843268 0.05196989 1.0
Fe Fe136 1 0.70285431 0.14843268 0.05196989 1.0
Fe Fe137 1 0.15853781 0.58680611 0.31707562 1.0
Fe Fe138 1 0.29629509 0.30602576 0.59259017 1.0
Fe Fe139 1 0.42992609 0.25420532 0.85985218 1.0
Fe Fe140 1 0.51290020 0.83244654 0.02580041 1.0
Fe Fe141 1 0.65137613 0.78701138 0.30275226 1.0
Fe Fe142 1 0.23838927 0.69514687 0.12346963 1.0
Fe Fe143 1 0.88508036 0.69514687 0.12346963 1.0
Fe Fe144 1 0.07650556 0.01274783 0.15301112 1.0
Fe Fe145 1 0.93616542 0.05363014 0.87233085 1.0
Fe Fe146 1 0.86577130 0.68687722 0.73154260 1.0
Fe Fe147 1 0.29407557 0.92029732 0.58815113 1.0