基础信息
化学式
Sr11Dy9Pb16
MP-ID
mp-3320801
元素数
3
位点数
36
密度
8.0572
g/cm³
体积
1,183.29
ų
晶胞参数 a
8.1666
Å
晶胞参数 b
8.7884
Å
晶胞参数 c
16.4871
Å
α 角
90.00
°
β 角
90.00
°
γ 角
89.72
°
空间群
Pm
点群
m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
Yes
堆积分数
-
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 |
|---|---|---|---|
| 5.36 | 16.4871 | 3.7 | (0,0,1) |
| 10.07 | 8.7883 | 1.3 | (0,1,0) |
| 10.73 | 8.2435 | 7.9 | (0,0,2) |
| 11.41 | 7.7553 | 47.0 | (0,1,1) |
| 12.09 | 7.3180 | 1.6 | (1,0,1) |
| 14.73 | 6.0124 | 1.3 | (0,1,2) |
| 14.77 | 5.9970 | 16.2 | (1,1,0) |
| 14.84 | 5.9679 | 14.7 | (1,-1,0) |
| 15.72 | 5.6357 | 8.8 | (1,1,1) |
| 15.79 | 5.6116 | 9.1 | (1,-1,1) |
| 18.29 | 4.8495 | 27.3 | (1,1,2) |
| 18.35 | 4.8341 | 27.3 | (1,-1,2) |
| 19.05 | 4.6596 | 9.0 | (0,1,3) |
| 20.21 | 4.3941 | 8.1 | (0,2,0) |
| 21.56 | 4.1218 | 21.8 | (0,0,4) |
| 21.77 | 4.0833 | 21.9 | (2,0,0) |
| 21.94 | 4.0517 | 24.0 | (1,1,3) |
| 21.99 | 4.0427 | 23.3 | (1,-1,3) |
| 22.93 | 3.8777 | 15.1 | (0,2,2) |
| 22.94 | 3.8775 | 1.2 | (1,2,0) |
| 23.57 | 3.7745 | 1.3 | (1,2,1) |
| 23.66 | 3.7599 | 1.8 | (1,-2,1) |
| 24.33 | 3.6590 | 2.0 | (2,0,2) |
| 24.60 | 3.6195 | 2.0 | (2,1,1) |
能量属性
形成能/原子
-0.74006
eV/atom
能量/原子
-38.37897
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-38.3790
eV/atom
体积/原子
32.87
ų
c/a 比
2.0188
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
0.9578
μB
磁有序
FM
磁性位点数
3
磁化强度/体积
0.000810
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
Pb · 0.444
元素家族
N/A
溶质分数
0.556
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.564
家族
Pb-rich Multi-Component
基质元素
Pb · 0.444
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-3320801
参考引用
The crystal structure and related material properties of Sr11Dy9Pb16 were obtained from the Materials Project database (MP-ID: mp-3320801, 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_Sr11Dy9Pb16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16664391
_cell_length_b 8.78837578
_cell_length_c 16.48705979
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.72062063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr11Dy9Pb16
_chemical_formula_sum 'Sr11 Dy9 Pb16'
_cell_volume 1183.28753211
_cell_formula_units_Z 1
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
Sr Sr0 1 0.50223136 0.68384545 0.59407404 1.0
Sr Sr1 1 0.00254127 0.81593184 0.90871105 1.0
Sr Sr2 1 0.49635960 0.31516986 0.08952825 1.0
Sr Sr3 1 0.99702255 0.18570426 0.41048750 1.0
Sr Sr4 1 0.49635960 0.31516986 0.41047175 1.0
Sr Sr5 1 0.99702255 0.18570426 0.08951250 1.0
Sr Sr6 1 0.50223136 0.68384545 0.90592596 1.0
Sr Sr7 1 0.00254127 0.81593184 0.59128895 1.0
Sr Sr8 1 0.33138131 0.98633089 0.75000000 1.0
Sr Sr9 1 0.17101523 0.48303017 0.25000000 1.0
Sr Sr10 1 0.67019452 0.01684032 0.25000000 1.0
Dy Dy11 1 0.67721107 0.16054793 0.62314538 1.0
Dy Dy12 1 0.17474763 0.33689196 0.87668273 1.0
Dy Dy13 1 0.32507640 0.83502896 0.12136328 1.0
Dy Dy14 1 0.82586793 0.66425462 0.37894539 1.0
Dy Dy15 1 0.32507640 0.83502896 0.37863672 1.0
Dy Dy16 1 0.82586793 0.66425462 0.12105461 1.0
Dy Dy17 1 0.67721107 0.16054793 0.87685462 1.0
Dy Dy18 1 0.17474763 0.33689196 0.62331727 1.0
Dy Dy19 1 0.83342573 0.51151948 0.75000000 1.0
Pb Pb20 1 0.67007957 0.95802132 0.46010523 1.0
Pb Pb21 1 0.16891930 0.54230195 0.03930823 1.0
Pb Pb22 1 0.33069251 0.04174992 0.95834409 1.0
Pb Pb23 1 0.82922495 0.46033701 0.54631086 1.0
Pb Pb24 1 0.33069251 0.04174992 0.54165591 1.0
Pb Pb25 1 0.82922495 0.46033701 0.95368914 1.0
Pb Pb26 1 0.67007957 0.95802132 0.03989477 1.0
Pb Pb27 1 0.16891930 0.54230195 0.46069177 1.0
Pb Pb28 1 0.47964355 0.37118958 0.75000000 1.0
Pb Pb29 1 0.96776779 0.15161883 0.75000000 1.0
Pb Pb30 1 0.53094200 0.64418586 0.25000000 1.0
Pb Pb31 1 0.03019394 0.85543270 0.25000000 1.0
Pb Pb32 1 0.72451201 0.86446031 0.75000000 1.0
Pb Pb33 1 0.20399058 0.61695350 0.75000000 1.0
Pb Pb34 1 0.27767893 0.11323765 0.25000000 1.0
Pb Pb35 1 0.77930415 0.38563151 0.25000000 1.0
