Eu3Al5O12
传统材料 TRAMP-ID: mp-21757 · 空间群: Ia-3d (#230)
基础信息
化学式
Eu3Al5O12
MP-ID
mp-21757
元素数
3
位点数
80
密度
5.8107
g/cm³
体积
894.81
ų
晶胞参数 a
10.5144
Å
晶胞参数 b
10.5144
Å
晶胞参数 c
10.5144
Å
α 角
109.47
°
β 角
109.47
°
γ 角
109.47
°
空间群
Ia-3d
点群
m-3m
晶体系统
Cubic
Bravais 格子
cI
稳定性
No
堆积分数
0.6802
能量属性
形成能/原子
-3.34602
eV/atom
能量/原子
-8.79441
eV/atom
凸包距离
0.0875
eV/atom
未修正能量
-14.3376
eV/atom
体积/原子
11.19
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
Yes
总磁矩
72.0000
μB
磁有序
FM
磁性位点数
12
磁化强度/体积
0.080460
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
O · 0.600
元素家族
N/A
溶质分数
0.400
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.490
家族
O-rich Multi-Component
基质元素
O · 0.600
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-21757
参考引用
The crystal structure and related material properties of Eu3Al5O12 were obtained from the Materials Project database (MP-ID: mp-21757, 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_Eu3Al5O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.51440548
_cell_length_b 10.51438525
_cell_length_c 10.51438525
_cell_angle_alpha 109.47119990
_cell_angle_beta 109.47119203
_cell_angle_gamma 109.47119203
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu3Al5O12
_chemical_formula_sum 'Eu12 Al20 O48'
_cell_volume 894.81039382
_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
Eu Eu0 1 0.87497471 0.62499845 0.24997125 1.0
Eu Eu1 1 0.62502529 0.25002875 0.87500155 1.0
Eu Eu2 1 0.87497471 0.74997626 0.62500346 1.0
Eu Eu3 1 0.75000000 0.62500000 0.87500000 1.0
Eu Eu4 1 0.25000000 0.87500000 0.62500000 1.0
Eu Eu5 1 0.62502529 0.87499654 0.75002374 1.0
Eu Eu6 1 0.12502529 0.37500155 0.75002875 1.0
Eu Eu7 1 0.37497471 0.74997125 0.12499845 1.0
Eu Eu8 1 0.12502529 0.25002374 0.37499654 1.0
Eu Eu9 1 0.25000000 0.37500000 0.12500000 1.0
Eu Eu10 1 0.75000000 0.12500000 0.37500000 1.0
Eu Eu11 1 0.37497471 0.12500346 0.24997626 1.0
Al Al12 1 0.12497738 0.87499722 0.24997369 1.0
Al Al13 1 0.87502262 0.12500278 0.75002631 1.0
Al Al14 1 0.25000000 0.62499071 0.37499071 1.0
Al Al15 1 0.37502262 0.25002631 0.62500278 1.0
Al Al16 1 0.75000000 0.87499071 0.12499071 1.0
Al Al17 1 0.12497738 0.74998016 0.87500369 1.0
Al Al18 1 0.37502262 0.62499631 0.75001984 1.0
Al Al19 1 0.62497738 0.74997369 0.37499722 1.0
Al Al20 1 0.87502262 0.25001984 0.12499631 1.0
Al Al21 1 0.25000000 0.12500929 0.87500929 1.0
Al Al22 1 0.75000000 0.37500929 0.62500929 1.0
Al Al23 1 0.62497738 0.37500369 0.24998016 1.0
Al Al24 1 0.50000000 0.50000000 0.50000000 1.0
Al Al25 1 0.50000000 0.00000000 0.50000000 1.0
Al Al26 1 -0.00000000 0.50000000 0.50000000 1.0
Al Al27 1 0.50000000 0.50000000 -0.00000000 1.0
Al Al28 1 -0.00000000 0.00000000 0.50000000 1.0
Al Al29 1 -0.00000000 0.50000000 -0.00000000 1.0
Al Al30 1 0.50000000 0.00000000 -0.00000000 1.0
Al Al31 1 -0.00000000 0.00000000 -0.00000000 1.0
O O32 1 0.91917548 0.11536794 0.59958459 1.0
O O33 1 0.18042013 0.19621791 0.58084383 1.0
O O34 1 0.30378840 0.48420371 0.38463852 1.0
O O35 1 0.01581080 0.31958773 0.90046023 1.0
O O36 1 0.38465009 0.58085063 0.90045758 1.0
O O37 1 0.31957987 0.90042369 0.01579778 1.0
O O38 1 0.31957987 0.91915617 0.30378209 1.0
O O39 1 0.90044645 0.01580433 0.31959377 1.0
O O40 1 0.11534991 0.01580749 0.19620055 1.0
O O41 1 0.48418920 0.59953977 0.18041227 1.0
O O42 1 0.59955355 0.18040623 0.48419567 1.0
O O43 1 0.90044645 0.38464212 0.58085267 1.0
O O44 1 0.91917548 0.30380754 0.31959089 1.0
O O45 1 0.19621160 0.11536148 0.01579629 1.0
O O46 1 0.58082452 0.90041541 0.38463206 1.0
O O47 1 0.30378840 0.31958469 0.91914988 1.0
O O48 1 0.01581080 0.19622307 0.11535057 1.0
O O49 1 0.58082452 0.18040911 0.19619246 1.0
O O50 1 0.48418920 0.38464943 0.30377693 1.0
O O51 1 0.88465009 0.98419251 0.80379945 1.0
O O52 1 0.38465009 0.30379945 0.48419251 1.0
O O53 1 0.59955355 0.91914733 0.11535788 1.0
O O54 1 0.19621160 0.58085012 0.18041531 1.0
O O55 1 0.18042013 0.48420222 0.59957631 1.0
O O56 1 0.08082452 0.88463206 0.40041541 1.0
O O57 1 0.81957987 0.80378209 0.41915617 1.0
O O58 1 0.69621160 0.51579629 0.61536148 1.0
O O59 1 0.98418920 0.68041227 0.09953977 1.0
O O60 1 0.61534991 0.41914937 0.09954242 1.0
O O61 1 0.68042013 0.09957631 0.98420222 1.0
O O62 1 0.68042013 0.08084383 0.69621791 1.0
O O63 1 0.09955355 0.98419567 0.68040623 1.0
O O64 1 0.81957987 0.51579778 0.40042369 1.0
O O65 1 0.80378840 0.41914988 0.81958469 1.0
O O66 1 0.40044645 0.08085267 0.88464212 1.0
O O67 1 0.88465009 0.40045758 0.08085063 1.0
O O68 1 0.61534991 0.69620055 0.51580749 1.0
O O69 1 0.51581080 0.61535057 0.69622307 1.0
O O70 1 0.41917548 0.81959089 0.80380754 1.0
O O71 1 0.98418920 0.80377693 0.88464943 1.0
O O72 1 0.69621160 0.68041531 0.08085012 1.0
O O73 1 0.41917548 0.09958459 0.61536794 1.0
O O74 1 0.80378840 0.88463852 0.98420371 1.0
O O75 1 0.08082452 0.69619246 0.68040911 1.0
O O76 1 0.09955355 0.61535788 0.41914733 1.0
O O77 1 0.40044645 0.81959377 0.51580433 1.0
O O78 1 0.51581080 0.40046023 0.81958773 1.0
O O79 1 0.11534991 0.59954242 0.91914937 1.0