Al2(Zn13Pd3)3
传统材料 TRAMP-ID: mp-1215020 · 空间群: F-43m (#216)
基础信息
化学式
Al2(Zn13Pd3)3
MP-ID
mp-1215020
元素数
3
位点数
100
密度
7.8463
g/cm³
体积
1,507.96
ų
晶胞参数 a
12.8717
Å
晶胞参数 b
12.8717
Å
晶胞参数 c
12.8717
Å
α 角
60.00
°
β 角
60.00
°
γ 角
60.00
°
空间群
F-43m
点群
-43m
晶体系统
Cubic
Bravais 格子
cF
稳定性
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.30176
eV/atom
能量/原子
-2.36656
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.3666
eV/atom
体积/原子
15.08
ų
c/a 比
1.0000
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
0.0041
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
Zn · 0.780
元素家族
N/A
溶质分数
0.220
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.853
家族
Zn-based Alloy
基质元素
Zn · 0.780
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-1215020
参考引用
The crystal structure and related material properties of Al2(Zn13Pd3)3 were obtained from the Materials Project database (MP-ID: mp-1215020, 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_Al2(Zn13Pd3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.87168485
_cell_length_b 12.87168485
_cell_length_c 12.87168485
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2(Zn13Pd3)3
_chemical_formula_sum 'Al4 Zn78 Pd18'
_cell_volume 1507.96477097
_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
Al Al0 1 0.30517778 0.30517778 0.30517778 1.0
Al Al1 1 0.08446665 0.30517778 0.30517778 1.0
Al Al2 1 0.30517778 0.08446665 0.30517778 1.0
Al Al3 1 0.30517778 0.30517778 0.08446665 1.0
Zn Zn4 1 0.94180139 0.94180139 0.94180139 1.0
Zn Zn5 1 0.17459583 0.94180139 0.94180139 1.0
Zn Zn6 1 0.94180139 0.17459583 0.94180139 1.0
Zn Zn7 1 0.94180139 0.94180139 0.17459583 1.0
Zn Zn8 1 0.21947425 0.47197217 0.47197217 1.0
Zn Zn9 1 0.83658142 0.47197217 0.47197217 1.0
Zn Zn10 1 0.47197217 0.83658142 0.21947425 1.0
Zn Zn11 1 0.47197217 0.47197217 0.21947425 1.0
Zn Zn12 1 0.47197217 0.21947425 0.83658142 1.0
Zn Zn13 1 0.47197217 0.47197217 0.83658142 1.0
Zn Zn14 1 0.83658142 0.21947425 0.47197217 1.0
Zn Zn15 1 0.21947425 0.83658142 0.47197217 1.0
Zn Zn16 1 0.47197217 0.21947425 0.47197217 1.0
Zn Zn17 1 0.21947425 0.47197217 0.83658142 1.0
Zn Zn18 1 0.83658142 0.47197217 0.21947425 1.0
Zn Zn19 1 0.47197217 0.83658142 0.47197217 1.0
Zn Zn20 1 0.81940266 0.81940266 0.18059734 1.0
Zn Zn21 1 0.18059734 0.18059734 0.81940266 1.0
Zn Zn22 1 0.81940266 0.18059734 0.81940266 1.0
Zn Zn23 1 0.18059734 0.81940266 0.18059734 1.0
Zn Zn24 1 0.18059734 0.81940266 0.81940266 1.0
Zn Zn25 1 0.81940266 0.18059734 0.18059734 1.0
Zn Zn26 1 0.08122630 0.73013867 0.73013867 1.0
Zn Zn27 1 0.45849636 0.73013867 0.73013867 1.0
Zn Zn28 1 0.73013867 0.45849636 0.08122630 1.0
Zn Zn29 1 0.73013867 0.73013867 0.08122630 1.0
Zn Zn30 1 0.73013867 0.08122630 0.45849636 1.0
Zn Zn31 1 0.73013867 0.73013867 0.45849636 1.0
Zn Zn32 1 0.45849636 0.08122630 0.73013867 1.0
Zn Zn33 1 0.08122630 0.45849636 0.73013867 1.0
Zn Zn34 1 0.73013867 0.08122630 0.73013867 1.0
Zn Zn35 1 0.08122630 0.73013867 0.45849636 1.0
Zn Zn36 1 0.45849636 0.73013867 0.08122630 1.0
Zn Zn37 1 0.73013867 0.45849636 0.73013867 1.0
Zn Zn38 1 0.69588388 0.69588388 0.69588388 1.0
Zn Zn39 1 0.91234836 0.69588388 0.69588388 1.0
Zn Zn40 1 0.69588388 0.91234836 0.69588388 1.0
Zn Zn41 1 0.69588388 0.69588388 0.91234836 1.0
Zn Zn42 1 0.56208436 0.22573355 0.22573355 1.0
Zn Zn43 1 0.98644854 0.22573355 0.22573355 1.0
Zn Zn44 1 0.22573355 0.98644854 0.56208436 1.0
Zn Zn45 1 0.22573355 0.22573355 0.56208436 1.0
Zn Zn46 1 0.22573355 0.56208436 0.98644854 1.0
Zn Zn47 1 0.22573355 0.22573355 0.98644854 1.0
Zn Zn48 1 0.98644854 0.56208436 0.22573355 1.0
Zn Zn49 1 0.56208436 0.98644854 0.22573355 1.0
Zn Zn50 1 0.22573355 0.56208436 0.22573355 1.0
Zn Zn51 1 0.56208436 0.22573355 0.98644854 1.0
Zn Zn52 1 0.98644854 0.22573355 0.56208436 1.0
Zn Zn53 1 0.22573355 0.98644854 0.22573355 1.0
Zn Zn54 1 0.92822908 0.92822908 0.57177092 1.0
Zn Zn55 1 0.57177092 0.57177092 0.92822908 1.0
Zn Zn56 1 0.92822908 0.57177092 0.92822908 1.0
Zn Zn57 1 0.57177092 0.92822908 0.57177092 1.0
Zn Zn58 1 0.57177092 0.92822908 0.92822908 1.0
Zn Zn59 1 0.92822908 0.57177092 0.57177092 1.0
Zn Zn60 1 0.69694794 0.98560824 0.98560824 1.0
Zn Zn61 1 0.33183559 0.98560824 0.98560824 1.0
Zn Zn62 1 0.98560824 0.33183559 0.69694794 1.0
Zn Zn63 1 0.98560824 0.98560824 0.69694794 1.0
Zn Zn64 1 0.98560824 0.69694794 0.33183559 1.0
Zn Zn65 1 0.98560824 0.98560824 0.33183559 1.0
Zn Zn66 1 0.33183559 0.69694794 0.98560824 1.0
Zn Zn67 1 0.69694794 0.33183559 0.98560824 1.0
Zn Zn68 1 0.98560824 0.69694794 0.98560824 1.0
Zn Zn69 1 0.69694794 0.98560824 0.33183559 1.0
Zn Zn70 1 0.33183559 0.98560824 0.69694794 1.0
Zn Zn71 1 0.98560824 0.33183559 0.98560824 1.0
Zn Zn72 1 0.44669769 0.44669769 0.44669769 1.0
Zn Zn73 1 0.65990693 0.44669769 0.44669769 1.0
Zn Zn74 1 0.44669769 0.65990693 0.44669769 1.0
Zn Zn75 1 0.44669769 0.44669769 0.65990693 1.0
Zn Zn76 1 0.67924531 0.67924531 0.32075469 1.0
Zn Zn77 1 0.32075469 0.32075469 0.67924531 1.0
Zn Zn78 1 0.67924531 0.32075469 0.67924531 1.0
Zn Zn79 1 0.32075469 0.67924531 0.32075469 1.0
Zn Zn80 1 0.32075469 0.67924531 0.67924531 1.0
Zn Zn81 1 0.67924531 0.32075469 0.32075469 1.0
Pd Pd82 1 0.83876144 0.83876144 0.83876144 1.0
Pd Pd83 1 0.48371568 0.83876144 0.83876144 1.0
Pd Pd84 1 0.83876144 0.48371568 0.83876144 1.0
Pd Pd85 1 0.83876144 0.83876144 0.48371568 1.0
Pd Pd86 1 0.08356519 0.08356519 0.08356519 1.0
Pd Pd87 1 0.74930443 0.08356519 0.08356519 1.0
Pd Pd88 1 0.08356519 0.74930443 0.08356519 1.0
Pd Pd89 1 0.08356519 0.08356519 0.74930443 1.0
Pd Pd90 1 0.42627228 0.42627228 0.07372772 1.0
Pd Pd91 1 0.07372772 0.07372772 0.42627228 1.0
Pd Pd92 1 0.42627228 0.07372772 0.42627228 1.0
Pd Pd93 1 0.07372772 0.42627228 0.07372772 1.0
Pd Pd94 1 0.07372772 0.42627228 0.42627228 1.0
Pd Pd95 1 0.42627228 0.07372772 0.07372772 1.0
Pd Pd96 1 0.58749404 0.58749404 0.58749404 1.0
Pd Pd97 1 0.23751788 0.58749404 0.58749404 1.0
Pd Pd98 1 0.58749404 0.23751788 0.58749404 1.0
Pd Pd99 1 0.58749404 0.58749404 0.23751788 1.0