Sr7Pt3
传统材料 TRAMP-ID: mp-30843 · 空间群: Pnma (#62)
基础信息
化学式
Sr7Pt3
MP-ID
mp-30843
元素数
2
位点数
40
密度
5.6925
g/cm³
体积
1,398.55
ų
晶胞参数 a
7.1922
Å
晶胞参数 b
7.9791
Å
晶胞参数 c
24.3703
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pnma
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
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 |
|---|---|---|---|
| 7.25 | 12.1852 | 7.8 | (0,0,2) |
| 12.83 | 6.8981 | 10.3 | (1,0,1) |
| 14.54 | 6.0926 | 3.8 | (0,0,4) |
| 16.46 | 5.3849 | 1.4 | (1,0,3) |
| 16.59 | 5.3423 | 5.2 | (1,1,0) |
| 16.99 | 5.2184 | 23.2 | (1,1,1) |
| 18.13 | 4.8927 | 100.0 | (1,1,2) |
| 19.89 | 4.4636 | 58.5 | (1,1,3) |
| 21.88 | 4.0617 | 32.0 | (0,0,6) |
| 22.13 | 4.0168 | 48.3 | (1,1,4) |
| 22.28 | 3.9896 | 1.7 | (0,2,0) |
| 22.58 | 3.9372 | 6.8 | (0,2,1) |
| 23.46 | 3.7915 | 6.6 | (0,2,2) |
| 24.73 | 3.6007 | 1.5 | (1,1,5) |
| 24.76 | 3.5961 | 6.0 | (2,0,0) |
| 24.86 | 3.5810 | 5.6 | (0,2,3) |
| 25.53 | 3.4888 | 6.8 | (1,2,0) |
| 25.80 | 3.4536 | 6.8 | (1,2,1) |
| 25.83 | 3.4491 | 1.1 | (2,0,2) |
| 26.71 | 3.3376 | 1.2 | (0,2,4) |
| 27.20 | 3.2785 | 16.4 | (2,1,0) |
| 27.45 | 3.2493 | 6.9 | (2,1,1) |
| 27.83 | 3.2056 | 18.7 | (1,2,3) |
| 28.19 | 3.1659 | 2.6 | (2,1,2) |
能量属性
形成能/原子
-0.63929
eV/atom
能量/原子
-26.68757
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-26.6876
eV/atom
体积/原子
34.96
ų
c/a 比
3.3884
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
0.0053
μB
磁有序
Unknown
磁性位点数
0
磁化强度/体积
0.000000
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 · 0.700
元素家族
N/A
溶质分数
0.300
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.723
家族
Binary Alloy
基质元素
Sr · 0.700
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-30843
参考引用
The crystal structure and related material properties of Sr7Pt3 were obtained from the Materials Project database (MP-ID: mp-30843, 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_Sr7Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19222147
_cell_length_b 7.97911146
_cell_length_c 24.37032059
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr7Pt3
_chemical_formula_sum 'Sr28 Pt12'
_cell_volume 1398.55266857
_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
Sr Sr0 1 0.65619920 0.45647066 0.38175958 1.0
Sr Sr1 1 0.15619920 0.04352934 0.61824042 1.0
Sr Sr2 1 0.84380080 0.95647066 0.11824042 1.0
Sr Sr3 1 0.34380080 0.54352934 0.88175958 1.0
Sr Sr4 1 0.34380080 0.54352934 0.61824042 1.0
Sr Sr5 1 0.84380080 0.95647066 0.38175958 1.0
Sr Sr6 1 0.15619920 0.04352934 0.88175958 1.0
Sr Sr7 1 0.65619920 0.45647066 0.11824042 1.0
Sr Sr8 1 0.17705808 0.33289371 0.47721766 1.0
Sr Sr9 1 0.67705808 0.16710629 0.52278234 1.0
Sr Sr10 1 0.32294192 0.83289371 0.02278234 1.0
Sr Sr11 1 0.82294192 0.66710629 0.97721766 1.0
Sr Sr12 1 0.64750511 0.17601602 0.25000000 1.0
Sr Sr13 1 0.14750511 0.32398398 0.75000000 1.0
Sr Sr14 1 0.85249489 0.67601602 0.25000000 1.0
Sr Sr15 1 0.35249489 0.82398398 0.75000000 1.0
Sr Sr16 1 0.18731546 0.32028836 0.17427138 1.0
Sr Sr17 1 0.68731546 0.17971164 0.82572862 1.0
Sr Sr18 1 0.31268454 0.82028836 0.32572862 1.0
Sr Sr19 1 0.81268454 0.67971164 0.67427138 1.0
Sr Sr20 1 0.81268454 0.67971164 0.82572862 1.0
Sr Sr21 1 0.31268454 0.82028836 0.17427138 1.0
Sr Sr22 1 0.68731546 0.17971164 0.67427138 1.0
Sr Sr23 1 0.18731546 0.32028836 0.32572862 1.0
Sr Sr24 1 0.17705808 0.33289371 0.02278234 1.0
Sr Sr25 1 0.67705808 0.16710629 0.97721766 1.0
Sr Sr26 1 0.32294192 0.83289371 0.47721766 1.0
Sr Sr27 1 0.82294192 0.66710629 0.52278234 1.0
Pt Pt28 1 0.46441376 0.12254775 0.40499350 1.0
Pt Pt29 1 0.96441376 0.37745225 0.59500650 1.0
Pt Pt30 1 0.03558624 0.62254775 0.09500650 1.0
Pt Pt31 1 0.53558624 0.87745225 0.90499350 1.0
Pt Pt32 1 0.53558624 0.87745225 0.59500650 1.0
Pt Pt33 1 0.03558624 0.62254775 0.40499350 1.0
Pt Pt34 1 0.96441376 0.37745225 0.90499350 1.0
Pt Pt35 1 0.46441376 0.12254775 0.09500650 1.0
Pt Pt36 1 0.96702952 0.97855200 0.75000000 1.0
Pt Pt37 1 0.46702952 0.52144800 0.25000000 1.0
Pt Pt38 1 0.53297048 0.47855200 0.75000000 1.0
Pt Pt39 1 0.03297048 0.02144800 0.25000000 1.0
