基础信息
化学式
Al11(CoSi)6
MP-ID
mp-1214980
元素数
3
位点数
92
密度
4.4471
g/cm³
体积
1,223.11
ų
晶胞参数 a
21.1503
Å
晶胞参数 b
8.0087
Å
晶胞参数 c
8.2495
Å
α 角
61.08
°
β 角
90.00
°
γ 角
90.00
°
空间群
P2_1/c
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.37736
eV/atom
能量/原子
-9.33828
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-9.3383
eV/atom
体积/原子
13.29
ų
c/a 比
0.3900
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
No
总磁矩
0.0000
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000000
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 · 0.478
元素家族
N/A
溶质分数
0.522
间隙分数
0.261
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.661
家族
Al-based Alloy
基质元素
Al · 0.478
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-1214980
参考引用
The crystal structure and related material properties of Al11(CoSi)6 were obtained from the Materials Project database (MP-ID: mp-1214980, 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_Al11(CoSi)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 21.15028952
_cell_length_b 8.00871658
_cell_length_c 8.24953365
_cell_angle_alpha 61.08078516
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al11(CoSi)6
_chemical_formula_sum 'Al44 Co24 Si24'
_cell_volume 1223.11350293
_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
Al Al0 1 0.77024727 0.84328918 0.55841542 1.0
Al Al1 1 0.22975273 0.15671082 0.44158458 1.0
Al Al2 1 0.27024727 0.15671082 0.94158458 1.0
Al Al3 1 0.72975273 0.84328918 0.05841542 1.0
Al Al4 1 0.20284026 0.96059239 0.81116228 1.0
Al Al5 1 0.79715974 0.03940761 0.18883772 1.0
Al Al6 1 0.70284026 0.03940761 0.68883772 1.0
Al Al7 1 0.29715974 0.96059239 0.31116228 1.0
Al Al8 1 0.46670943 0.59860807 0.55727871 1.0
Al Al9 1 0.53329057 0.40139193 0.44272129 1.0
Al Al10 1 0.96670943 0.40139193 0.94272129 1.0
Al Al11 1 0.03329057 0.59860807 0.05727871 1.0
Al Al12 1 0.20356061 0.47471652 0.81482091 1.0
Al Al13 1 0.79643939 0.52528348 0.18517909 1.0
Al Al14 1 0.70356061 0.52528348 0.68517909 1.0
Al Al15 1 0.29643939 0.47471652 0.31482091 1.0
Al Al16 1 0.93670724 0.77254019 0.69467691 1.0
Al Al17 1 0.06329276 0.22745981 0.30532309 1.0
Al Al18 1 0.43670724 0.22745981 0.80532309 1.0
Al Al19 1 0.56329276 0.77254019 0.19467691 1.0
Al Al20 1 0.33248683 0.58900480 0.60364779 1.0
Al Al21 1 0.66751317 0.41099520 0.39635221 1.0
Al Al22 1 0.83248683 0.41099520 0.89635221 1.0
Al Al23 1 0.16751317 0.58900480 0.10364779 1.0
Al Al24 1 0.28204768 0.65564947 0.92842712 1.0
Al Al25 1 0.71795232 0.34435053 0.07157288 1.0
Al Al26 1 0.78204768 0.34435053 0.57157288 1.0
Al Al27 1 0.21795232 0.65564947 0.42842712 1.0
Al Al28 1 0.96331685 0.90967842 0.93471725 1.0
Al Al29 1 0.03668315 0.09032158 0.06528275 1.0
Al Al30 1 0.46331685 0.09032158 0.56528275 1.0
Al Al31 1 0.53668315 0.90967842 0.43471725 1.0
Al Al32 1 0.11996359 0.23388674 0.78583750 1.0
Al Al33 1 0.88003641 0.76611326 0.21416250 1.0
Al Al34 1 0.61996359 0.76611326 0.71416250 1.0
Al Al35 1 0.38003641 0.23388674 0.28583750 1.0
Al Al36 1 0.11588663 0.74143375 0.76296465 1.0
Al Al37 1 0.88411337 0.25856625 0.23703535 1.0
Al Al38 1 0.61588663 0.25856625 0.73703535 1.0
Al Al39 1 0.38411337 0.74143375 0.26296465 1.0
Al Al40 1 0.43239815 0.71512082 0.80805944 1.0
Al Al41 1 0.56760185 0.28487918 0.19194056 1.0
Al Al42 1 0.93239815 0.28487918 0.69194056 1.0
Al Al43 1 0.06760185 0.71512082 0.30805944 1.0
Co Co44 1 0.08900353 0.88942336 0.96265492 1.0
Co Co45 1 0.91099647 0.11057664 0.03734508 1.0
Co Co46 1 0.58900353 0.11057664 0.53734508 1.0
Co Co47 1 0.41099647 0.88942336 0.46265492 1.0
Co Co48 1 0.08835538 0.39816148 0.96389298 1.0
Co Co49 1 0.91164462 0.60183852 0.03610702 1.0
Co Co50 1 0.58835538 0.60183852 0.53610702 1.0
Co Co51 1 0.41164462 0.39816148 0.46389298 1.0
Co Co52 1 0.95879502 0.62661424 0.49914183 1.0
Co Co53 1 0.04120498 0.37338576 0.50085817 1.0
Co Co54 1 0.45879502 0.37338576 0.00085817 1.0
Co Co55 1 0.54120498 0.62661424 0.99914183 1.0
Co Co56 1 0.22935522 0.81095531 0.61832197 1.0
Co Co57 1 0.77064478 0.18904469 0.38167803 1.0
Co Co58 1 0.72935522 0.18904469 0.88167803 1.0
Co Co59 1 0.27064478 0.81095531 0.11832197 1.0
Co Co60 1 0.22638739 0.31247957 0.62938749 1.0
Co Co61 1 0.77361261 0.68752043 0.37061251 1.0
Co Co62 1 0.72638739 0.68752043 0.87061251 1.0
Co Co63 1 0.27361261 0.31247957 0.12938749 1.0
Co Co64 1 0.45684239 0.88098420 0.98959755 1.0
Co Co65 1 0.54315761 0.11901580 0.01040245 1.0
Co Co66 1 0.95684239 0.11901580 0.51040245 1.0
Co Co67 1 0.04315761 0.88098420 0.48959755 1.0
Si Si68 1 0.35636640 0.39998236 0.93631034 1.0
Si Si69 1 0.64363360 0.60001764 0.06368966 1.0
Si Si70 1 0.85636640 0.60001764 0.56368966 1.0
Si Si71 1 0.14363360 0.39998236 0.43631034 1.0
Si Si72 1 0.32967181 0.91305788 0.62983349 1.0
Si Si73 1 0.67032819 0.08694212 0.37016651 1.0
Si Si74 1 0.82967181 0.08694212 0.87016651 1.0
Si Si75 1 0.17032819 0.91305788 0.12983349 1.0
Si Si76 1 0.35437870 0.91996921 0.92247831 1.0
Si Si77 1 0.64562130 0.08003079 0.07752169 1.0
Si Si78 1 0.85437870 0.08003079 0.57752169 1.0
Si Si79 1 0.14562130 0.91996921 0.42247831 1.0
Si Si80 1 0.82920959 0.77746660 0.85825326 1.0
Si Si81 1 0.17079041 0.22253340 0.14174674 1.0
Si Si82 1 0.32920959 0.22253340 0.64174674 1.0
Si Si83 1 0.67079041 0.77746660 0.35825326 1.0
Si Si84 1 0.95368446 0.96139268 0.32437917 1.0
Si Si85 1 0.04631554 0.03860732 0.67562083 1.0
Si Si86 1 0.45368446 0.03860732 0.17562083 1.0
Si Si87 1 0.54631554 0.96139268 0.82437917 1.0
Si Si88 1 0.04579102 0.53522285 0.67554918 1.0
Si Si89 1 0.95420898 0.46477715 0.32445082 1.0
Si Si90 1 0.54579102 0.46477715 0.82445082 1.0
Si Si91 1 0.45420898 0.53522285 0.17554918 1.0