基础信息
化学式
Y(Zn10Ru)2
MP-ID
mp-640315
元素数
3
位点数
46
密度
7.2923
g/cm³
体积
728.32
ų
晶胞参数 a
10.0990
Å
晶胞参数 b
10.0990
Å
晶胞参数 c
10.0990
Å
α 角
60.00
°
β 角
60.00
°
γ 角
60.00
°
空间群
Fd-3m
点群
m-3m
晶体系统
Cubic
Bravais 格子
cF
稳定性
Yes
堆积分数
0.7405
X 射线衍射
衍射图谱
横轴为 2θ (°)，纵轴为相对强度，Cu Kα ， λ=1.5418 Å
衍射峰（Top 24）
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 10.73 | 8.2458 | 23.6 | (1,1,1) |
| 20.63 | 4.3062 | 9.2 | (2,2,1) |
| 21.55 | 4.1229 | 2.9 | (2,2,2) |
| 24.94 | 3.5705 | 1.1 | (2,2,0) |
| 35.56 | 2.5248 | 16.6 | (4,2,2) |
| 37.25 | 2.4141 | 74.6 | (4,3,2) |
| 37.79 | 2.3804 | 17.4 | (4,3,3) |
| 39.92 | 2.2582 | 35.7 | (4,3,1) |
| 41.46 | 2.1780 | 82.0 | (4,4,3) |
| 41.96 | 2.1531 | 100.0 | (4,4,2) |
| 43.92 | 2.0615 | 31.0 | (4,4,4) |
| 45.35 | 1.9999 | 41.9 | (5,3,3) |
| 47.65 | 1.9085 | 1.9 | (5,4,3) |
| 52.44 | 1.7448 | 6.9 | (5,5,3) |
| 54.52 | 1.6832 | 23.5 | (6,3,3) |
| 55.74 | 1.6492 | 4.3 | (6,4,3) |
| 57.74 | 1.5968 | 2.9 | (6,4,2) |
| 58.91 | 1.5677 | 2.7 | (6,5,4) |
| 59.30 | 1.5583 | 2.4 | (6,3,1) |
| 60.84 | 1.5225 | 1.5 | (6,1,1) |
| 63.86 | 1.4577 | 5.9 | (6,6,4) |
| 64.97 | 1.4354 | 11.0 | (7,4,4) |
| 66.80 | 1.4005 | 8.3 | (7,5,4) |
| 68.24 | 1.3743 | 23.6 | (6,6,2) |
能量属性
形成能/原子
-0.19603
eV/atom
能量/原子
-2.38093
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.3809
eV/atom
体积/原子
15.83
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
0.0294
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000040
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 · 0.870
元素家族
N/A
溶质分数
0.130
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.864
家族
Zn-based Alloy
基质元素
Zn · 0.870
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-640315
参考引用
The crystal structure and related material properties of Y(Zn10Ru)2 were obtained from the Materials Project database (MP-ID: mp-640315, 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_Y(Zn10Ru)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.09901360
_cell_length_b 10.09901360
_cell_length_c 10.09901360
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y(Zn10Ru)2
_chemical_formula_sum 'Y2 Zn40 Ru4'
_cell_volume 728.31939175
_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
Y Y0 1 0.50000000 0.50000000 0.50000000 1.0
Y Y1 1 0.75000000 0.75000000 0.75000000 1.0
Zn Zn2 1 0.29962500 0.29962500 0.83211500 1.0
Zn Zn3 1 0.29962500 0.56863600 0.83211500 1.0
Zn Zn4 1 0.95037500 0.68136400 0.95037500 1.0
Zn Zn5 1 0.95037500 0.41788500 0.95037500 1.0
Zn Zn6 1 0.29962500 0.29962500 0.56863600 1.0
Zn Zn7 1 0.95037500 0.95037500 0.41788500 1.0
Zn Zn8 1 0.12500000 0.62500000 0.62500000 1.0
Zn Zn9 1 0.38638400 0.11361600 0.11361600 1.0
Zn Zn10 1 0.62500000 0.12500000 0.62500000 1.0
Zn Zn11 1 0.56863600 0.29962500 0.83211500 1.0
Zn Zn12 1 0.95037500 0.41788500 0.68136400 1.0
Zn Zn13 1 0.11361600 0.38638400 0.11361600 1.0
Zn Zn14 1 0.29962500 0.83211500 0.56863600 1.0
Zn Zn15 1 0.41788500 0.68136400 0.95037500 1.0
Zn Zn16 1 0.38638400 0.38638400 0.11361600 1.0
Zn Zn17 1 0.13638400 0.86361600 0.86361600 1.0
Zn Zn18 1 0.83211500 0.56863600 0.29962500 1.0
Zn Zn19 1 0.56863600 0.29962500 0.29962500 1.0
Zn Zn20 1 0.56863600 0.83211500 0.29962500 1.0
Zn Zn21 1 0.38638400 0.11361600 0.38638400 1.0
Zn Zn22 1 0.83211500 0.29962500 0.56863600 1.0
Zn Zn23 1 0.29962500 0.56863600 0.29962500 1.0
Zn Zn24 1 0.68136400 0.95037500 0.95037500 1.0
Zn Zn25 1 0.86361600 0.86361600 0.13638400 1.0
Zn Zn26 1 0.62500000 0.62500000 0.12500000 1.0
Zn Zn27 1 0.11361600 0.11361600 0.38638400 1.0
Zn Zn28 1 0.86361600 0.13638400 0.13638400 1.0
Zn Zn29 1 0.95037500 0.95037500 0.68136400 1.0
Zn Zn30 1 0.68136400 0.41788500 0.95037500 1.0
Zn Zn31 1 0.13638400 0.13638400 0.86361600 1.0
Zn Zn32 1 0.62500000 0.62500000 0.62500000 1.0
Zn Zn33 1 0.95037500 0.68136400 0.41788500 1.0
Zn Zn34 1 0.68136400 0.95037500 0.41788500 1.0
Zn Zn35 1 0.11361600 0.38638400 0.38638400 1.0
Zn Zn36 1 0.86361600 0.13638400 0.86361600 1.0
Zn Zn37 1 0.83211500 0.29962500 0.29962500 1.0
Zn Zn38 1 0.13638400 0.86361600 0.13638400 1.0
Zn Zn39 1 0.41788500 0.95037500 0.68136400 1.0
Zn Zn40 1 0.29962500 0.83211500 0.29962500 1.0
Zn Zn41 1 0.41788500 0.95037500 0.95037500 1.0
Ru Ru42 1 0.12500000 0.62500000 0.12500000 1.0
Ru Ru43 1 0.12500000 0.12500000 0.62500000 1.0
Ru Ru44 1 0.12500000 0.12500000 0.12500000 1.0
Ru Ru45 1 0.62500000 0.12500000 0.12500000 1.0
