Sr11Sb10
传统材料 TRAMP-ID: mp-16475 · 空间群: I4/mmm (#139)
基础信息
化学式
Sr11Sb10
MP-ID
mp-16475
元素数
2
位点数
42
密度
4.9626
g/cm³
体积
1,459.86
ų
晶胞参数 a
12.8221
Å
晶胞参数 b
12.8221
Å
晶胞参数 c
12.8221
Å
α 角
121.31
°
β 角
121.31
°
γ 角
87.74
°
空间群
I4/mmm
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tI
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 |
|---|---|---|---|
| 8.51 | 10.3932 | 6.8 | (1,0,0) |
| 9.95 | 8.8864 | 1.1 | (0,0,1) |
| 13.82 | 6.4061 | 1.8 | (1,1,0) |
| 17.06 | 5.1966 | 9.4 | (2,0,0) |
| 19.20 | 4.6217 | 3.6 | (2,2,-2) |
| 19.98 | 4.4432 | 3.9 | (0,0,2) |
| 21.40 | 4.1525 | 13.6 | (2,1,0) |
| 21.67 | 4.1003 | 4.3 | (2,2,-1) |
| 21.75 | 4.0855 | 8.0 | (2,-1,1) |
| 22.20 | 4.0046 | 7.7 | (1,1,1) |
| 22.37 | 3.9741 | 1.1 | (1,-1,2) |
| 25.72 | 3.4644 | 2.5 | (3,0,0) |
| 28.41 | 3.1418 | 32.2 | (2,-2,2) |
| 28.91 | 3.0889 | 65.2 | (3,2,-1) |
| 28.98 | 3.0811 | 30.7 | (3,3,-3) |
| 29.44 | 3.0338 | 100.0 | (2,1,1) |
| 29.65 | 3.0133 | 61.6 | (3,1,0) |
| 29.71 | 3.0074 | 7.1 | (2,-1,2) |
| 30.04 | 2.9747 | 77.5 | (3,-1,1) |
| 30.17 | 2.9621 | 73.6 | (0,0,3) |
| 30.71 | 2.9111 | 13.1 | (3,3,-2) |
| 31.72 | 2.8208 | 27.0 | (1,1,2) |
| 31.84 | 2.8101 | 3.0 | (1,-1,3) |
| 32.29 | 2.7721 | 70.2 | (4,1,-1) |
能量属性
形成能/原子
-1.06627
eV/atom
能量/原子
-3.91898
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-3.8275
eV/atom
体积/原子
34.76
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
0.9029
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000620
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
Sr · 0.524
元素家族
N/A
溶质分数
0.476
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.633
家族
Binary Alloy
基质元素
Sr · 0.524
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-16475
参考引用
The crystal structure and related material properties of Sr11Sb10 were obtained from the Materials Project database (MP-ID: mp-16475, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Sr11Sb10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.82214030
_cell_length_b 12.82214030
_cell_length_c 12.82214030
_cell_angle_alpha 121.31075543
_cell_angle_beta 121.31075543
_cell_angle_gamma 87.74431279
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr11Sb10
_chemical_formula_sum 'Sr22 Sb20'
_cell_volume 1459.85756663
_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
Sr Sr0 1 0.81027700 0.06062100 0.25034400 1.0
Sr Sr1 1 0.81027700 0.55993300 0.74965600 1.0
Sr Sr2 1 0.06062100 0.81027700 0.25034400 1.0
Sr Sr3 1 0.55993300 0.81027700 0.74965600 1.0
Sr Sr4 1 0.18972300 0.93937900 0.74965600 1.0
Sr Sr5 1 0.18972300 0.44006700 0.25034400 1.0
Sr Sr6 1 0.93937900 0.18972300 0.74965600 1.0
Sr Sr7 1 0.44006700 0.18972300 0.25034400 1.0
Sr Sr8 1 0.16910600 0.16910600 0.33821100 1.0
Sr Sr9 1 0.83089400 0.83089400 0.66178900 1.0
Sr Sr10 1 0.16910600 0.83089400 0.00000000 1.0
Sr Sr11 1 0.83089400 0.16910600 0.00000000 1.0
Sr Sr12 1 0.65527500 0.65527500 0.00000000 1.0
Sr Sr13 1 0.34472500 0.34472500 0.00000000 1.0
Sr Sr14 1 0.60487000 0.93958100 0.33471100 1.0
Sr Sr15 1 0.60487000 0.27015900 0.66528900 1.0
Sr Sr16 1 0.93958100 0.60487000 0.33471100 1.0
Sr Sr17 1 0.27015900 0.60487000 0.66528900 1.0
Sr Sr18 1 0.39513000 0.06041900 0.66528900 1.0
Sr Sr19 1 0.39513000 0.72984100 0.33471100 1.0
Sr Sr20 1 0.06041900 0.39513000 0.66528900 1.0
Sr Sr21 1 0.72984100 0.39513000 0.33471100 1.0
Sb Sb22 1 0.35369000 0.00000000 0.35369000 1.0
Sb Sb23 1 0.64631000 0.00000000 0.64631000 1.0
Sb Sb24 1 0.00000000 0.64631000 0.64631000 1.0
Sb Sb25 1 0.00000000 0.35369000 0.35369000 1.0
Sb Sb26 1 0.87809900 0.87809900 0.00000000 1.0
Sb Sb27 1 0.12190100 0.12190100 0.00000000 1.0
Sb Sb28 1 0.37880400 0.37880400 0.75760800 1.0
Sb Sb29 1 0.62119600 0.62119600 0.24239200 1.0
Sb Sb30 1 0.37880400 0.62119600 0.00000000 1.0
Sb Sb31 1 0.62119600 0.37880400 0.00000000 1.0
Sb Sb32 1 0.75000000 0.25000000 0.50000000 1.0
Sb Sb33 1 0.25000000 0.75000000 0.50000000 1.0
Sb Sb34 1 0.88908900 0.88908900 0.41947200 1.0
Sb Sb35 1 0.46961700 0.46961700 0.58052800 1.0
Sb Sb36 1 0.88908900 0.46961700 0.00000000 1.0
Sb Sb37 1 0.46961700 0.88908900 0.00000000 1.0
Sb Sb38 1 0.11091100 0.11091100 0.58052800 1.0
Sb Sb39 1 0.53038300 0.53038300 0.41947200 1.0
Sb Sb40 1 0.11091100 0.53038300 0.00000000 1.0
Sb Sb41 1 0.53038300 0.11091100 0.00000000 1.0
