基础信息
化学式
Sm6Mg4Pt13
MP-ID
mp-3290166
元素数
3
位点数
23
密度
13.0393
g/cm³
体积
450.24
ų
晶胞参数 a
8.3629
Å
晶胞参数 b
8.3629
Å
晶胞参数 c
8.3629
Å
α 角
109.47
°
β 角
109.47
°
γ 角
109.47
°
空间群
Im-3m
点群
m-3m
晶体系统
Cubic
Bravais 格子
cI
稳定性
Yes
堆积分数
0.6802
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 |
|---|---|---|---|
| 12.97 | 6.8282 | 9.2 | (1,0,-1) |
| 18.38 | 4.8283 | 5.2 | (1,1,-1) |
| 22.55 | 3.9423 | 8.1 | (2,0,-1) |
| 26.10 | 3.4141 | 5.6 | (2,0,-2) |
| 29.25 | 3.0537 | 7.0 | (2,-1,-2) |
| 29.25 | 3.0537 | 9.9 | (2,1,-1) |
| 34.76 | 2.5808 | 10.5 | (3,0,-2) |
| 37.25 | 2.4142 | 5.4 | (2,2,-2) |
| 39.60 | 2.2761 | 100.0 | (3,0,-3) |
| 41.84 | 2.1593 | 1.6 | (3,1,-3) |
| 43.98 | 2.0588 | 1.7 | (4,-1,-2) |
| 46.05 | 1.9711 | 1.7 | (2,0,-4) |
| 48.04 | 1.8938 | 2.8 | (4,0,-3) |
| 55.49 | 1.6561 | 1.1 | (2,1,-5) |
| 55.49 | 1.6561 | 4.2 | (4,1,-4) |
| 57.24 | 1.6094 | 5.7 | (3,1,-5) |
| 57.24 | 1.6094 | 10.5 | (3,3,-3) |
| 58.96 | 1.5665 | 6.4 | (5,0,-3) |
| 62.31 | 1.4900 | 1.9 | (5,0,-4) |
| 63.95 | 1.4558 | 3.1 | (5,1,-3) |
| 65.57 | 1.4238 | 1.5 | (5,1,-4) |
| 68.74 | 1.3657 | 1.7 | (6,-1,-3) |
| 71.84 | 1.3141 | 7.8 | (4,1,-6) |
| 71.84 | 1.3141 | 24.0 | (5,-4,-3) |
能量属性
形成能/原子
-1.15285
eV/atom
能量/原子
-38.73611
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-38.7361
eV/atom
体积/原子
19.58
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
0.0025
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
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
Pt · 0.565
元素家族
N/A
溶质分数
0.435
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.505
家族
Pt-rich Multi-Component
基质元素
Pt · 0.565
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-3290166
参考引用
The crystal structure and related material properties of Sm6Mg4Pt13 were obtained from the Materials Project database (MP-ID: mp-3290166, 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_Sm6Mg4Pt13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36284902
_cell_length_b 8.36284937
_cell_length_c 8.36284976
_cell_angle_alpha 109.47122158
_cell_angle_beta 109.47122241
_cell_angle_gamma 109.47122138
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm6Mg4Pt13
_chemical_formula_sum 'Sm6 Mg4 Pt13'
_cell_volume 450.23672402
_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
Sm Sm0 1 0.69754717 0.69754717 1.00000000 1.0
Sm Sm1 1 0.30245283 0.00000000 0.30245283 1.0
Sm Sm2 1 0.00000000 0.30245283 0.30245283 1.0
Sm Sm3 1 0.30245283 0.30245283 0.00000000 1.0
Sm Sm4 1 0.69754717 1.00000000 0.69754717 1.0
Sm Sm5 1 1.00000000 0.69754717 0.69754717 1.0
Mg Mg6 1 0.00000000 0.00000000 0.50000000 1.0
Mg Mg7 1 0.00000000 0.50000000 0.00000000 1.0
Mg Mg8 1 0.50000000 0.00000000 0.00000000 1.0
Mg Mg9 1 0.50000000 0.50000000 0.50000000 1.0
Pt Pt10 1 0.33149693 0.33149693 0.66299387 1.0
Pt Pt11 1 0.66850307 0.00000000 0.33149693 1.0
Pt Pt12 1 0.00000000 0.66850307 0.33149693 1.0
Pt Pt13 1 0.66850307 0.33149693 0.00000000 1.0
Pt Pt14 1 0.33149693 0.66299387 0.33149693 1.0
Pt Pt15 1 1.00000000 0.33149693 0.66850307 1.0
Pt Pt16 1 0.33149693 0.66850307 1.00000000 1.0
Pt Pt17 1 0.33149693 1.00000000 0.66850307 1.0
Pt Pt18 1 0.66299387 0.33149693 0.33149693 1.0
Pt Pt19 1 0.66850307 0.66850307 0.33700613 1.0
Pt Pt20 1 0.66850307 0.33700613 0.66850307 1.0
Pt Pt21 1 0.33700613 0.66850307 0.66850307 1.0
Pt Pt22 1 0.00000000 0.00000000 0.00000000 1.0
