Mn4Al9
传统材料 TRAMP-ID: mp-1212295 · 空间群: Pnma (#62)
基础信息
化学式
Mn4Al9
MP-ID
mp-1212295
元素数
2
位点数
156
密度
4.0358
g/cm³
体积
2,283.99
ų
晶胞参数 a
12.4068
Å
晶胞参数 b
14.7435
Å
晶胞参数 c
12.4864
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
-0.23268
eV/atom
能量/原子
-5.64486
eV/atom
凸包距离
0.0435
eV/atom
未修正能量
-5.6449
eV/atom
体积/原子
14.64
ų
c/a 比
1.0064
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
62.1881
μB
磁有序
FiM
磁性位点数
48
磁化强度/体积
0.027230
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 · 0.692
元素家族
N/A
溶质分数
0.308
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.899
家族
Al-based Alloy
基质元素
Al · 0.692
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-1212295
参考引用
The crystal structure and related material properties of Mn4Al9 were obtained from the Materials Project database (MP-ID: mp-1212295, 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_Mn4Al9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.40677385
_cell_length_b 14.74345964
_cell_length_c 12.48635784
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn4Al9
_chemical_formula_sum 'Mn48 Al108'
_cell_volume 2283.98921188
_cell_formula_units_Z 12
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
Mn Mn0 1 0.93687926 0.87459357 0.84082490 1.0
Mn Mn1 1 0.06312074 0.12540643 0.15917510 1.0
Mn Mn2 1 0.06312074 0.62540643 0.34082490 1.0
Mn Mn3 1 0.43687926 0.12540643 0.15917510 1.0
Mn Mn4 1 0.93687926 0.37459357 0.65917510 1.0
Mn Mn5 1 0.56312074 0.87459357 0.84082490 1.0
Mn Mn6 1 0.56312074 0.37459357 0.65917510 1.0
Mn Mn7 1 0.43687926 0.62540643 0.34082490 1.0
Mn Mn8 1 0.75000000 0.66709950 0.65538059 1.0
Mn Mn9 1 0.25000000 0.33290050 0.34461941 1.0
Mn Mn10 1 0.25000000 0.83290050 0.15538059 1.0
Mn Mn11 1 0.75000000 0.16709950 0.84461941 1.0
Mn Mn12 1 0.75000000 0.45748016 0.35277081 1.0
Mn Mn13 1 0.25000000 0.54251984 0.64722919 1.0
Mn Mn14 1 0.25000000 0.04251984 0.85277081 1.0
Mn Mn15 1 0.75000000 0.95748016 0.14722919 1.0
Mn Mn16 1 0.75000000 0.77636110 0.47803948 1.0
Mn Mn17 1 0.25000000 0.22363890 0.52196052 1.0
Mn Mn18 1 0.25000000 0.72363890 0.97803948 1.0
Mn Mn19 1 0.75000000 0.27636110 0.02196052 1.0
Mn Mn20 1 0.75000000 0.94427631 0.75487873 1.0
Mn Mn21 1 0.25000000 0.05572369 0.24512127 1.0
Mn Mn22 1 0.25000000 0.55572369 0.25487873 1.0
Mn Mn23 1 0.75000000 0.44427631 0.74512127 1.0
Mn Mn24 1 0.75000000 0.94632077 0.54404459 1.0
Mn Mn25 1 0.25000000 0.05367923 0.45595541 1.0
Mn Mn26 1 0.25000000 0.55367923 0.04404459 1.0
Mn Mn27 1 0.75000000 0.44632077 0.95595541 1.0
Mn Mn28 1 0.75000000 0.76702509 0.82655895 1.0
Mn Mn29 1 0.25000000 0.23297491 0.17344105 1.0
Mn Mn30 1 0.25000000 0.73297491 0.32655895 1.0
Mn Mn31 1 0.75000000 0.26702509 0.67344105 1.0
Mn Mn32 1 0.44257243 0.82249809 0.65095715 1.0
Mn Mn33 1 0.55742757 0.17750191 0.34904285 1.0
Mn Mn34 1 0.55742757 0.67750191 0.15095715 1.0
Mn Mn35 1 0.94257243 0.17750191 0.34904285 1.0
Mn Mn36 1 0.44257243 0.32249809 0.84904285 1.0
Mn Mn37 1 0.05742757 0.82249809 0.65095715 1.0
Mn Mn38 1 0.05742757 0.32249809 0.84904285 1.0
Mn Mn39 1 0.94257243 0.67750191 0.15095715 1.0
Mn Mn40 1 0.93898443 0.68236721 0.54073185 1.0
Mn Mn41 1 0.06101557 0.31763279 0.45926815 1.0
Mn Mn42 1 0.06101557 0.81763279 0.04073185 1.0
Mn Mn43 1 0.43898443 0.31763279 0.45926815 1.0
Mn Mn44 1 0.93898443 0.18236721 0.95926815 1.0
Mn Mn45 1 0.56101557 0.68236721 0.54073185 1.0
Mn Mn46 1 0.56101557 0.18236721 0.95926815 1.0
Mn Mn47 1 0.43898443 0.81763279 0.04073185 1.0
Al Al48 1 0.85184818 0.81761753 0.65315154 1.0
Al Al49 1 0.14815182 0.18238247 0.34684846 1.0
Al Al50 1 0.14815182 0.68238247 0.15315154 1.0
Al Al51 1 0.35184818 0.18238247 0.34684846 1.0
Al Al52 1 0.85184818 0.31761753 0.84684846 1.0
Al Al53 1 0.64815182 0.81761753 0.65315154 1.0
Al Al54 1 0.64815182 0.31761753 0.84684846 1.0
Al Al55 1 0.35184818 0.68238247 0.15315154 1.0
Al Al56 1 0.75000000 0.90425260 0.33840201 1.0
Al Al57 1 0.25000000 0.09574740 0.66159799 1.0
Al Al58 1 0.25000000 0.59574740 0.83840201 1.0
Al Al59 1 0.75000000 0.40425260 0.16159799 1.0
Al Al60 1 0.93297334 0.97832147 0.65394927 1.0
Al Al61 1 0.06702666 0.02167853 0.34605073 1.0
Al Al62 1 0.06702666 0.52167853 0.15394927 1.0
Al Al63 1 0.43297334 0.02167853 0.34605073 1.0
Al Al64 1 0.93297334 0.47832147 0.84605073 1.0
Al Al65 1 0.56702666 0.97832147 0.65394927 1.0
Al Al66 1 0.56702666 0.47832147 0.84605073 1.0
Al Al67 1 0.43297334 0.52167853 0.15394927 1.0
Al Al68 1 0.93256574 0.69394561 0.76641690 1.0
Al Al69 1 0.06743426 0.30605439 0.23358310 1.0
Al Al70 1 0.06743426 0.80605439 0.26641690 1.0
Al Al71 1 0.43256574 0.30605439 0.23358310 1.0
Al Al72 1 0.93256574 0.19394561 0.73358310 1.0
Al Al73 1 0.56743426 0.69394561 0.76641690 1.0
Al Al74 1 0.56743426 0.19394561 0.73358310 1.0
Al Al75 1 0.43256574 0.80605439 0.26641690 1.0
Al Al76 1 0.37712141 0.66433842 0.66318574 1.0
Al Al77 1 0.62287859 0.33566158 0.33681426 1.0
Al Al78 1 0.62287859 0.83566158 0.16318574 1.0
Al Al79 1 0.87712141 0.33566158 0.33681426 1.0
Al Al80 1 0.37712141 0.16433842 0.83681426 1.0
Al Al81 1 0.12287859 0.66433842 0.66318574 1.0
Al Al82 1 0.12287859 0.16433842 0.83681426 1.0
Al Al83 1 0.87712141 0.83566158 0.16318574 1.0
Al Al84 1 0.37171128 0.94762916 0.54107868 1.0
Al Al85 1 0.62828872 0.05237084 0.45892132 1.0
Al Al86 1 0.62828872 0.55237084 0.04107868 1.0
Al Al87 1 0.87171128 0.05237084 0.45892132 1.0
Al Al88 1 0.37171128 0.44762916 0.95892132 1.0
Al Al89 1 0.12828872 0.94762916 0.54107868 1.0
Al Al90 1 0.12828872 0.44762916 0.95892132 1.0
Al Al91 1 0.87171128 0.55237084 0.04107868 1.0
Al Al92 1 0.37728426 0.94903297 0.76300992 1.0
Al Al93 1 0.62271574 0.05096703 0.23699008 1.0
Al Al94 1 0.62271574 0.55096703 0.26300992 1.0
Al Al95 1 0.87728426 0.05096703 0.23699008 1.0
Al Al96 1 0.37728426 0.44903297 0.73699008 1.0
Al Al97 1 0.12271574 0.94903297 0.76300992 1.0
Al Al98 1 0.12271574 0.44903297 0.73699008 1.0
Al Al99 1 0.87728426 0.55096703 0.26300992 1.0
Al Al100 1 0.93374123 0.86663849 0.46948331 1.0
Al Al101 1 0.06625877 0.13336151 0.53051669 1.0
Al Al102 1 0.06625877 0.63336151 0.96948331 1.0
Al Al103 1 0.43374123 0.13336151 0.53051669 1.0
Al Al104 1 0.93374123 0.36663849 0.03051669 1.0
Al Al105 1 0.56625877 0.86663849 0.46948331 1.0
Al Al106 1 0.56625877 0.36663849 0.03051669 1.0
Al Al107 1 0.43374123 0.63336151 0.96948331 1.0
Al Al108 1 0.75000000 0.89709229 0.95415623 1.0
Al Al109 1 0.25000000 0.10290771 0.04584377 1.0
Al Al110 1 0.25000000 0.60290771 0.45415623 1.0
Al Al111 1 0.75000000 0.39709229 0.54584377 1.0
Al Al112 1 0.91949332 0.47759910 0.44913545 1.0
Al Al113 1 0.08050668 0.52240090 0.55086455 1.0
Al Al114 1 0.08050668 0.02240090 0.94913545 1.0
Al Al115 1 0.41949332 0.52240090 0.55086455 1.0
Al Al116 1 0.91949332 0.97759910 0.05086455 1.0
Al Al117 1 0.58050668 0.47759910 0.44913545 1.0
Al Al118 1 0.58050668 0.97759910 0.05086455 1.0
Al Al119 1 0.41949332 0.02240090 0.94913545 1.0
Al Al120 1 0.38236578 0.77716624 0.84275452 1.0
Al Al121 1 0.61763422 0.22283376 0.15724548 1.0
Al Al122 1 0.61763422 0.72283376 0.34275452 1.0
Al Al123 1 0.88236578 0.22283376 0.15724548 1.0
Al Al124 1 0.38236578 0.27716624 0.65724548 1.0
Al Al125 1 0.11763422 0.77716624 0.84275452 1.0
Al Al126 1 0.11763422 0.27716624 0.65724548 1.0
Al Al127 1 0.88236578 0.72283376 0.34275452 1.0
Al Al128 1 0.75000000 0.68217477 0.15597466 1.0
Al Al129 1 0.25000000 0.31782523 0.84402534 1.0
Al Al130 1 0.25000000 0.81782523 0.65597466 1.0
Al Al131 1 0.75000000 0.18217477 0.34402534 1.0
Al Al132 1 0.88002425 0.74049357 0.97308119 1.0
Al Al133 1 0.11997575 0.25950643 0.02691881 1.0
Al Al134 1 0.11997575 0.75950643 0.47308119 1.0
Al Al135 1 0.38002425 0.25950643 0.02691881 1.0
Al Al136 1 0.88002425 0.24049357 0.52691881 1.0
Al Al137 1 0.61997575 0.74049357 0.97308119 1.0
Al Al138 1 0.61997575 0.24049357 0.52691881 1.0
Al Al139 1 0.38002425 0.75950643 0.47308119 1.0
Al Al140 1 0.75000000 0.59741547 0.84994527 1.0
Al Al141 1 0.25000000 0.40258453 0.15005473 1.0
Al Al142 1 0.25000000 0.90258453 0.34994527 1.0
Al Al143 1 0.75000000 0.09741547 0.65005473 1.0
Al Al144 1 0.75000000 0.60391752 0.46382281 1.0
Al Al145 1 0.25000000 0.39608248 0.53617719 1.0
Al Al146 1 0.25000000 0.89608248 0.96382281 1.0
Al Al147 1 0.75000000 0.10391752 0.03617719 1.0
Al Al148 1 0.88315446 0.54170900 0.64832220 1.0
Al Al149 1 0.11684554 0.45829100 0.35167780 1.0
Al Al150 1 0.11684554 0.95829100 0.14832220 1.0
Al Al151 1 0.38315446 0.45829100 0.35167780 1.0
Al Al152 1 0.88315446 0.04170900 0.85167780 1.0
Al Al153 1 0.61684554 0.54170900 0.64832220 1.0
Al Al154 1 0.61684554 0.04170900 0.85167780 1.0
Al Al155 1 0.38315446 0.95829100 0.14832220 1.0