基础信息
化学式
Sr2In4Pt3
MP-ID
mp-21718
元素数
3
位点数
36
密度
9.4724
g/cm³
体积
855.31
ų
晶胞参数 a
14.7280
Å
晶胞参数 b
14.7280
Å
晶胞参数 c
4.5531
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P-62m
点群
-6m2
晶体系统
Hexagonal
Bravais 格子
hP
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 |
|---|---|---|---|
| 12.02 | 7.3641 | 7.4 | (1,1,-2,0) |
| 12.02 | 7.3640 | 7.4 | (2,-1,-1,0) |
| 12.02 | 7.3640 | 7.4 | (1,-2,1,0) |
| 18.40 | 4.8209 | 5.3 | (2,1,-3,0) |
| 18.40 | 4.8209 | 5.3 | (1,2,-3,0) |
| 18.40 | 4.8209 | 5.3 | (3,-1,-2,0) |
| 18.40 | 4.8209 | 5.3 | (1,-3,2,0) |
| 18.40 | 4.8209 | 5.3 | (3,-2,-1,0) |
| 18.40 | 4.8209 | 5.3 | (2,-3,1,0) |
| 20.71 | 4.2881 | 22.3 | (1,0,-1,1) |
| 20.71 | 4.2881 | 7.4 | (0,1,-1,-1) |
| 20.71 | 4.2881 | 7.4 | (1,-1,0,-1) |
| 20.71 | 4.2881 | 7.4 | (1,-1,0,1) |
| 22.96 | 3.8727 | 6.0 | (1,1,-2,1) |
| 22.97 | 3.8726 | 3.0 | (2,-1,-1,-1) |
| 22.97 | 3.8726 | 6.0 | (2,-1,-1,1) |
| 22.97 | 3.8726 | 3.0 | (1,-2,1,1) |
| 24.17 | 3.6820 | 21.7 | (2,2,-4,0) |
| 24.17 | 3.6820 | 21.7 | (4,-2,-2,0) |
| 24.17 | 3.6820 | 21.7 | (2,-4,2,0) |
| 25.17 | 3.5376 | 1.2 | (3,1,-4,0) |
| 25.17 | 3.5376 | 1.2 | (1,3,-4,0) |
| 25.17 | 3.5376 | 1.2 | (4,-1,-3,0) |
| 25.17 | 3.5376 | 1.2 | (1,-4,3,0) |
能量属性
形成能/原子
-0.68545
eV/atom
能量/原子
-4.31155
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-31.3731
eV/atom
体积/原子
23.76
ų
c/a 比
0.3091
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
0.0000
μB
磁有序
NM
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
In · 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
C
评分
0.450
家族
In-rich Multi-Component
基质元素
In · 0.444
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-21718
参考引用
The crystal structure and related material properties of Sr2In4Pt3 were obtained from the Materials Project database (MP-ID: mp-21718, 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_Sr2In4Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.72801063
_cell_length_b 14.72797888
_cell_length_c 4.55307414
_cell_angle_alpha 89.99996008
_cell_angle_beta 90.00004029
_cell_angle_gamma 119.99939777
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2In4Pt3
_chemical_formula_sum 'Sr8 In16 Pt12'
_cell_volume 855.31331144
_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 0.18638396 -0.00002250 0.50000020 1.0
Sr Sr1 1 0.81360858 0.81359998 0.50000029 1.0
Sr Sr2 1 -0.00001740 0.18639826 0.49999979 1.0
Sr Sr3 1 0.66669063 0.33334285 0.00000005 1.0
Sr Sr4 1 0.33332480 0.66666996 -0.00000005 1.0
Sr Sr5 1 0.55117336 0.00000073 -0.00000011 1.0
Sr Sr6 1 0.44883823 0.44884528 0.00000005 1.0
Sr Sr7 1 0.99999344 0.55115932 -0.00000030 1.0
In In8 1 0.47907131 0.12465775 0.49999991 1.0
In In9 1 0.87533199 0.35441329 0.49999985 1.0
In In10 1 0.64561086 0.52093335 0.49999982 1.0
In In11 1 0.52093279 0.64560621 0.49999983 1.0
In In12 1 0.35440219 0.87532483 0.49999985 1.0
In In13 1 0.12465352 0.47907638 0.49999982 1.0
In In14 1 0.37908822 0.19553956 -0.00000010 1.0
In In15 1 0.80446233 0.18354327 0.00000010 1.0
In In16 1 0.81646316 0.62091289 0.00000000 1.0
In In17 1 0.62091390 0.81646258 -0.00000008 1.0
In In18 1 -0.00000247 -0.00000428 0.00000008 1.0
In In19 1 0.18353525 0.80445688 -0.00000015 1.0
In In20 1 0.72297475 0.99999857 0.49999977 1.0
In In21 1 0.27704367 0.27704537 0.49999998 1.0
In In22 1 0.00000138 0.72295695 0.49999994 1.0
In In23 1 0.19552161 0.37907876 0.00000294 1.0
Pt Pt24 1 0.99999595 0.35142748 -0.00000013 1.0
Pt Pt25 1 0.35142084 -0.00000421 -0.00000012 1.0
Pt Pt26 1 0.48243839 0.31322663 0.49999978 1.0
Pt Pt27 1 0.68679212 0.16919092 0.50000006 1.0
Pt Pt28 1 0.83082658 0.51759093 0.50000002 1.0
Pt Pt29 1 0.51758484 0.83081259 0.49999978 1.0
Pt Pt30 1 0.16917552 0.68676809 0.49999972 1.0
Pt Pt31 1 0.31320065 0.48242391 0.49999992 1.0
Pt Pt32 1 0.99999015 0.81859890 -0.00000022 1.0
Pt Pt33 1 0.18137006 0.18137435 0.00000007 1.0
Pt Pt34 1 0.81861153 0.99999474 -0.00000009 1.0
Pt Pt35 1 0.64859433 0.64859842 -0.00000028 1.0
