基础信息
化学式
Ca10Al2Cu19
MP-ID
mp-1215019
元素数
3
位点数
93
密度
4.8437
g/cm³
体积
1,709.46
ų
晶胞参数 a
14.7608
Å
晶胞参数 b
14.7608
Å
晶胞参数 c
9.0595
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6/mmm
点群
6/mmm
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
No
堆积分数
0.7405
能量属性
形成能/原子
-0.14094
eV/atom
能量/原子
-9.49373
eV/atom
凸包距离
0.0057
eV/atom
未修正能量
-3.5499
eV/atom
体积/原子
18.38
ų
c/a 比
0.6138
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
1.2338
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000720
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
Cu · 0.613
元素家族
N/A
溶质分数
0.387
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.776
家族
Cu-based Alloy
基质元素
Cu · 0.613
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-1215019
参考引用
The crystal structure and related material properties of Ca10Al2Cu19 were obtained from the Materials Project database (MP-ID: mp-1215019, 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_Ca10Al2Cu19
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.76084410
_cell_length_b 14.76084410
_cell_length_c 9.05952400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000045
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca10Al2Cu19
_chemical_formula_sum 'Ca30 Al6 Cu57'
_cell_volume 1709.45784755
_cell_formula_units_Z 3
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
Ca Ca0 1 0.00000000 0.00000000 0.21833500 1.0
Ca Ca1 1 0.00000000 0.00000000 0.78166500 1.0
Ca Ca2 1 0.37925900 0.00000000 0.00000000 1.0
Ca Ca3 1 0.62074100 0.00000000 0.00000000 1.0
Ca Ca4 1 0.00000000 0.37925900 0.00000000 1.0
Ca Ca5 1 0.00000000 0.62074100 0.00000000 1.0
Ca Ca6 1 0.62074100 0.62074100 0.00000000 1.0
Ca Ca7 1 0.37925900 0.37925900 0.00000000 1.0
Ca Ca8 1 0.20788500 0.41577000 0.20820200 1.0
Ca Ca9 1 0.79211500 0.58423000 0.79179800 1.0
Ca Ca10 1 0.58423000 0.79211500 0.20820200 1.0
Ca Ca11 1 0.79211500 0.58423000 0.20820200 1.0
Ca Ca12 1 0.41577000 0.20788500 0.79179800 1.0
Ca Ca13 1 0.20788500 0.41577000 0.79179800 1.0
Ca Ca14 1 0.20788500 0.79211500 0.20820200 1.0
Ca Ca15 1 0.41577000 0.20788500 0.20820200 1.0
Ca Ca16 1 0.79211500 0.20788500 0.79179800 1.0
Ca Ca17 1 0.58423000 0.79211500 0.79179800 1.0
Ca Ca18 1 0.79211500 0.20788500 0.20820200 1.0
Ca Ca19 1 0.20788500 0.79211500 0.79179800 1.0
Ca Ca20 1 0.33333300 0.66666700 0.31489700 1.0
Ca Ca21 1 0.66666700 0.33333300 0.68510300 1.0
Ca Ca22 1 0.66666700 0.33333300 0.31489700 1.0
Ca Ca23 1 0.33333300 0.66666700 0.68510300 1.0
Ca Ca24 1 0.13242200 0.26484300 0.50000000 1.0
Ca Ca25 1 0.86757800 0.73515700 0.50000000 1.0
Ca Ca26 1 0.73515700 0.86757800 0.50000000 1.0
Ca Ca27 1 0.26484300 0.13242200 0.50000000 1.0
Ca Ca28 1 0.13242200 0.86757800 0.50000000 1.0
Ca Ca29 1 0.86757800 0.13242200 0.50000000 1.0
Al Al30 1 0.60363500 0.20727100 0.00000000 1.0
Al Al31 1 0.39636500 0.79272900 0.00000000 1.0
Al Al32 1 0.79272900 0.39636500 0.00000000 1.0
Al Al33 1 0.20727100 0.60363500 0.00000000 1.0
Al Al34 1 0.60363500 0.39636500 0.00000000 1.0
Al Al35 1 0.39636500 0.60363500 0.00000000 1.0
Cu Cu36 1 0.16214600 0.49073300 0.50000000 1.0
Cu Cu37 1 0.83785400 0.50926700 0.50000000 1.0
Cu Cu38 1 0.50926700 0.67141200 0.50000000 1.0
Cu Cu39 1 0.49073300 0.16214600 0.50000000 1.0
Cu Cu40 1 0.49073300 0.32858800 0.50000000 1.0
Cu Cu41 1 0.50926700 0.83785400 0.50000000 1.0
Cu Cu42 1 0.32858800 0.83785400 0.50000000 1.0
Cu Cu43 1 0.67141200 0.50926700 0.50000000 1.0
Cu Cu44 1 0.67141200 0.16214600 0.50000000 1.0
Cu Cu45 1 0.32858800 0.49073300 0.50000000 1.0
Cu Cu46 1 0.83785400 0.32858800 0.50000000 1.0
Cu Cu47 1 0.16214600 0.67141200 0.50000000 1.0
Cu Cu48 1 0.10646300 0.21292600 0.00000000 1.0
Cu Cu49 1 0.89353700 0.78707400 0.00000000 1.0
Cu Cu50 1 0.78707400 0.89353700 0.00000000 1.0
Cu Cu51 1 0.21292600 0.10646300 0.00000000 1.0
Cu Cu52 1 0.10646300 0.89353700 0.00000000 1.0
Cu Cu53 1 0.89353700 0.10646300 0.00000000 1.0
Cu Cu54 1 0.55077000 0.10153900 0.25174300 1.0
Cu Cu55 1 0.44923000 0.89846100 0.74825700 1.0
Cu Cu56 1 0.89846100 0.44923000 0.25174300 1.0
Cu Cu57 1 0.44923000 0.89846100 0.25174300 1.0
Cu Cu58 1 0.10153900 0.55077000 0.74825700 1.0
Cu Cu59 1 0.55077000 0.10153900 0.74825700 1.0
Cu Cu60 1 0.55077000 0.44923000 0.25174300 1.0
Cu Cu61 1 0.10153900 0.55077000 0.25174300 1.0
Cu Cu62 1 0.44923000 0.55077000 0.74825700 1.0
Cu Cu63 1 0.89846100 0.44923000 0.74825700 1.0
Cu Cu64 1 0.44923000 0.55077000 0.25174300 1.0
Cu Cu65 1 0.55077000 0.44923000 0.74825700 1.0
Cu Cu66 1 0.50000000 0.00000000 0.50000000 1.0
Cu Cu67 1 0.00000000 0.50000000 0.50000000 1.0
Cu Cu68 1 0.50000000 0.50000000 0.50000000 1.0
Cu Cu69 1 0.20947600 0.00000000 0.21605900 1.0
Cu Cu70 1 0.79052400 0.00000000 0.78394100 1.0
Cu Cu71 1 0.00000000 0.20947600 0.21605900 1.0
Cu Cu72 1 0.79052400 0.00000000 0.21605900 1.0
Cu Cu73 1 0.00000000 0.20947600 0.78394100 1.0
Cu Cu74 1 0.00000000 0.79052400 0.78394100 1.0
Cu Cu75 1 0.20947600 0.00000000 0.78394100 1.0
Cu Cu76 1 0.00000000 0.79052400 0.21605900 1.0
Cu Cu77 1 0.79052400 0.79052400 0.21605900 1.0
Cu Cu78 1 0.20947600 0.20947600 0.78394100 1.0
Cu Cu79 1 0.20947600 0.20947600 0.21605900 1.0
Cu Cu80 1 0.79052400 0.79052400 0.78394100 1.0
Cu Cu81 1 0.35565900 0.00000000 0.35206500 1.0
Cu Cu82 1 0.64434100 0.00000000 0.64793500 1.0
Cu Cu83 1 0.00000000 0.35565900 0.35206500 1.0
Cu Cu84 1 0.64434100 0.00000000 0.35206500 1.0
Cu Cu85 1 0.00000000 0.35565900 0.64793500 1.0
Cu Cu86 1 0.00000000 0.64434100 0.64793500 1.0
Cu Cu87 1 0.35565900 0.00000000 0.64793500 1.0
Cu Cu88 1 0.00000000 0.64434100 0.35206500 1.0
Cu Cu89 1 0.64434100 0.64434100 0.35206500 1.0
Cu Cu90 1 0.35565900 0.35565900 0.64793500 1.0
Cu Cu91 1 0.35565900 0.35565900 0.35206500 1.0
Cu Cu92 1 0.64434100 0.64434100 0.64793500 1.0