Pu31Pt20
传统材料 TRAMP-ID: mp-680426 · 空间群: I4/mcm (#140)
基础信息
化学式
Pu31Pt20
MP-ID
mp-680426
元素数
2
位点数
102
密度
16.0614
g/cm³
体积
2,370.80
ų
晶胞参数 a
11.2743
Å
晶胞参数 b
11.2743
Å
晶胞参数 c
20.2839
Å
α 角
106.14
°
β 角
106.14
°
γ 角
90.00
°
空间群
I4/mcm
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tI
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.33429
eV/atom
能量/原子
-11.67348
eV/atom
凸包距离
0.0979
eV/atom
未修正能量
-11.6735
eV/atom
体积/原子
23.24
ų
c/a 比
1.7991
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
57.4919
μB
磁有序
FiM
磁性位点数
62
磁化强度/体积
0.024250
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
Pu · 0.608
元素家族
N/A
溶质分数
0.392
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.605
家族
Binary Alloy
基质元素
Pu · 0.608
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-680426
参考引用
The crystal structure and related material properties of Pu31Pt20 were obtained from the Materials Project database (MP-ID: mp-680426, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Pu31Pt20
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.27432316
_cell_length_b 11.27432360
_cell_length_c 20.28386327
_cell_angle_alpha 106.13572103
_cell_angle_beta 106.13572169
_cell_angle_gamma 90.00000096
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu31Pt20
_chemical_formula_sum 'Pu62 Pt40'
_cell_volume 2370.80405226
_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
Pu Pu0 1 0.16634755 0.66634755 0.33269510 1.0
Pu Pu1 1 0.43689284 0.12501768 0.42485542 1.0
Pu Pu2 1 0.98796258 0.29983774 0.42485542 1.0
Pu Pu3 1 0.56310716 0.87498232 0.57514458 1.0
Pu Pu4 1 0.66005833 0.83994167 1.00000000 1.0
Pu Pu5 1 0.05807090 0.35621238 0.27408179 1.0
Pu Pu6 1 0.35621238 0.21601088 0.27408179 1.0
Pu Pu7 1 0.92223907 0.42223907 0.84447814 1.0
Pu Pu8 1 0.37498232 0.06310716 0.57514458 1.0
Pu Pu9 1 0.84957383 0.11779828 0.10052695 1.0
Pu Pu10 1 0.65042617 0.51727133 0.89947305 1.0
Pu Pu11 1 0.98272867 0.84957383 0.10052695 1.0
Pu Pu12 1 0.79983774 0.48796258 0.42485542 1.0
Pu Pu13 1 0.51203742 0.37498232 0.57514458 1.0
Pu Pu14 1 0.87498232 0.01203742 0.57514458 1.0
Pu Pu15 1 0.55807090 0.41786940 0.27408179 1.0
Pu Pu16 1 0.61779828 0.34957383 0.10052695 1.0
Pu Pu17 1 0.24904688 0.38220172 0.89947305 1.0
Pu Pu18 1 0.94192910 0.64378762 0.72591821 1.0
Pu Pu19 1 0.51727133 0.24904688 0.89947305 1.0
Pu Pu20 1 0.21601088 0.91786940 0.27408179 1.0
Pu Pu21 1 0.71601088 0.85621238 0.27408179 1.0
Pu Pu22 1 0.78398912 0.08213060 0.72591821 1.0
Pu Pu23 1 0.12501768 0.98796258 0.42485542 1.0
Pu Pu24 1 0.01203742 0.70016226 0.57514458 1.0
Pu Pu25 1 0.41786940 0.71601088 0.27408179 1.0
Pu Pu26 1 0.74904688 0.01727133 0.89947305 1.0
Pu Pu27 1 0.48796258 0.62501768 0.42485542 1.0
Pu Pu28 1 0.20016226 0.51203742 0.57514458 1.0
Pu Pu29 1 0.64378762 0.78398912 0.72591821 1.0
Pu Pu30 1 0.85621238 0.55807090 0.27408179 1.0
Pu Pu31 1 0.33365245 0.83365245 0.66730490 1.0
Pu Pu32 1 0.29983774 0.43689284 0.42485542 1.0
Pu Pu33 1 0.48272867 0.75095312 0.10052695 1.0
Pu Pu34 1 0.38220172 0.65042617 0.89947305 1.0
Pu Pu35 1 0.25000000 0.75000000 0.50000000 1.0
Pu Pu36 1 0.44192910 0.58213060 0.72591821 1.0
Pu Pu37 1 0.75095312 0.61779828 0.10052695 1.0
Pu Pu38 1 0.15042617 0.88220172 0.89947305 1.0
Pu Pu39 1 0.42223907 0.92223907 0.84447814 1.0
Pu Pu40 1 0.57776093 0.07776093 0.15552186 1.0
Pu Pu41 1 0.01727133 0.15042617 0.89947305 1.0
Pu Pu42 1 0.58213060 0.28398912 0.72591821 1.0
Pu Pu43 1 0.14378762 0.44192910 0.72591821 1.0
Pu Pu44 1 0.66634755 0.16634755 0.33269510 1.0
Pu Pu45 1 0.91786940 0.05807090 0.27408179 1.0
Pu Pu46 1 0.75000000 0.25000000 0.50000000 1.0
Pu Pu47 1 0.28398912 0.14378762 0.72591821 1.0
Pu Pu48 1 0.11779828 0.25095312 0.10052695 1.0
Pu Pu49 1 0.93689284 0.79983774 0.42485542 1.0
Pu Pu50 1 0.25095312 0.98272867 0.10052695 1.0
Pu Pu51 1 0.88220172 0.74904688 0.89947305 1.0
Pu Pu52 1 0.83994167 0.33994167 1.00000000 1.0
Pu Pu53 1 0.83365245 0.33365245 0.66730490 1.0
Pu Pu54 1 0.34957383 0.48272867 0.10052695 1.0
Pu Pu55 1 0.16005833 0.66005833 0.00000000 1.0
Pu Pu56 1 0.08213060 0.94192910 0.72591821 1.0
Pu Pu57 1 0.07776093 0.57776093 0.15552186 1.0
Pu Pu58 1 0.06310716 0.20016226 0.57514458 1.0
Pu Pu59 1 0.33994167 0.16005833 0.00000000 1.0
Pu Pu60 1 0.62501768 0.93689284 0.42485542 1.0
Pu Pu61 1 0.70016226 0.56310716 0.57514458 1.0
Pt Pt62 1 0.40372839 0.90372839 0.00000000 1.0
Pt Pt63 1 0.39241906 0.25398643 0.14640550 1.0
Pt Pt64 1 0.17714680 0.17714680 0.35429361 1.0
Pt Pt65 1 0.60758094 0.74601357 0.85359450 1.0
Pt Pt66 1 0.96715979 0.78439484 0.25155463 1.0
Pt Pt67 1 0.89241906 0.39241906 0.14640550 1.0
Pt Pt68 1 0.59627161 0.09627161 1.00000000 1.0
Pt Pt69 1 0.46715979 0.96715979 0.25155463 1.0
Pt Pt70 1 0.28439484 0.46715979 0.25155463 1.0
Pt Pt71 1 0.03284021 0.21560516 0.74844537 1.0
Pt Pt72 1 0.67714680 0.67714680 0.35429361 1.0
Pt Pt73 1 0.10758094 0.60758094 0.85359450 1.0
Pt Pt74 1 0.71560516 0.53284021 0.74844537 1.0
Pt Pt75 1 0.32285320 0.32285320 0.64570639 1.0
Pt Pt76 1 0.09627161 0.40372839 0.00000000 1.0
Pt Pt77 1 0.89924610 0.89924610 0.79849220 1.0
Pt Pt78 1 0.75398643 0.89241906 0.14640550 1.0
Pt Pt79 1 0.44451185 0.63394135 0.57845321 1.0
Pt Pt80 1 0.60075390 0.60075390 0.20150780 1.0
Pt Pt81 1 0.25398643 0.75398643 0.14640550 1.0
Pt Pt82 1 0.55548815 0.36605865 0.42154679 1.0
Pt Pt83 1 0.36605865 0.86605865 0.42154679 1.0
Pt Pt84 1 0.39924610 0.39924610 0.79849220 1.0
Pt Pt85 1 0.94451185 0.44451185 0.57845321 1.0
Pt Pt86 1 0.10075390 0.10075390 0.20150780 1.0
Pt Pt87 1 0.24601357 0.10758094 0.85359450 1.0
Pt Pt88 1 0.90372839 0.59627161 1.00000000 1.0
Pt Pt89 1 0.75000000 0.75000000 0.50000000 1.0
Pt Pt90 1 0.50000000 0.50000000 0.00000000 1.0
Pt Pt91 1 0.13394135 0.94451185 0.57845321 1.0
Pt Pt92 1 0.74601357 0.24601357 0.85359450 1.0
Pt Pt93 1 0.53284021 0.03284021 0.74844537 1.0
Pt Pt94 1 0.21560516 0.71560516 0.74844537 1.0
Pt Pt95 1 0.78439484 0.28439484 0.25155463 1.0
Pt Pt96 1 0.86605865 0.05548815 0.42154679 1.0
Pt Pt97 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt98 1 0.63394135 0.13394135 0.57845321 1.0
Pt Pt99 1 0.05548815 0.55548815 0.42154679 1.0
Pt Pt100 1 0.82285320 0.82285320 0.64570639 1.0
Pt Pt101 1 0.25000000 0.25000000 0.50000000 1.0