Pu13Zn58
传统材料 TRAMP-ID: mp-581595 · 空间群: P6_3/mmc (#194)
基础信息
化学式
Pu13Zn58
MP-ID
mp-581595
元素数
2
位点数
142
密度
9.1348
g/cm³
体积
2,532.49
ų
晶胞参数 a
14.4707
Å
晶胞参数 b
14.4707
Å
晶胞参数 c
13.9648
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6_3/mmc
点群
6/mmm
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
No
堆积分数
0.7405
能量属性
形成能/原子
-0.07724
eV/atom
能量/原子
-3.80482
eV/atom
凸包距离
0.0236
eV/atom
未修正能量
-3.8048
eV/atom
体积/原子
17.83
ų
c/a 比
0.9650
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
9.0319
μB
磁有序
FiM
磁性位点数
26
磁化强度/体积
0.003570
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
Zn · 0.817
元素家族
N/A
溶质分数
0.183
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.788
家族
Zn-based Alloy
基质元素
Zn · 0.817
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-581595
参考引用
The crystal structure and related material properties of Pu13Zn58 were obtained from the Materials Project database (MP-ID: mp-581595, 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_Pu13Zn58
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.47072931
_cell_length_b 14.47072968
_cell_length_c 13.96482265
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999917
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu13Zn58
_chemical_formula_sum 'Pu26 Zn116'
_cell_volume 2532.48516760
_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 0.40953972 0.20476986 0.55277909 1.0
Pu Pu1 1 0.45842857 0.54157143 0.75000000 1.0
Pu Pu2 1 0.87460934 0.74921867 0.25000000 1.0
Pu Pu3 1 0.08314287 0.54157143 0.75000000 1.0
Pu Pu4 1 0.79523014 0.59046028 0.94722091 1.0
Pu Pu5 1 0.79523014 0.20476986 0.55277909 1.0
Pu Pu6 1 0.45842857 0.91685713 0.75000000 1.0
Pu Pu7 1 0.79523014 0.20476986 0.94722091 1.0
Pu Pu8 1 0.79523014 0.59046028 0.55277909 1.0
Pu Pu9 1 0.91685713 0.45842857 0.25000000 1.0
Pu Pu10 1 0.12539066 0.87460934 0.75000000 1.0
Pu Pu11 1 0.87460934 0.12539066 0.25000000 1.0
Pu Pu12 1 0.59046028 0.79523014 0.05277909 1.0
Pu Pu13 1 0.20476986 0.40953972 0.05277909 1.0
Pu Pu14 1 0.59046028 0.79523014 0.44722091 1.0
Pu Pu15 1 0.20476986 0.79523014 0.44722091 1.0
Pu Pu16 1 0.00000000 0.00000000 0.00000000 1.0
Pu Pu17 1 0.54157143 0.08314287 0.25000000 1.0
Pu Pu18 1 0.25078133 0.12539066 0.25000000 1.0
Pu Pu19 1 0.74921867 0.87460934 0.75000000 1.0
Pu Pu20 1 0.20476986 0.40953972 0.44722091 1.0
Pu Pu21 1 0.40953972 0.20476986 0.94722091 1.0
Pu Pu22 1 0.12539066 0.25078133 0.75000000 1.0
Pu Pu23 1 0.00000000 0.00000000 0.50000000 1.0
Pu Pu24 1 0.20476986 0.79523014 0.05277909 1.0
Pu Pu25 1 0.54157143 0.45842857 0.25000000 1.0
Zn Zn26 1 0.47146947 0.23573474 0.15858819 1.0
Zn Zn27 1 1.00000000 0.20044306 0.00000000 1.0
Zn Zn28 1 0.63486509 0.96432954 0.60208051 1.0
Zn Zn29 1 0.36513491 0.32946445 0.39791949 1.0
Zn Zn30 1 0.60137264 0.39862736 0.05121378 1.0
Zn Zn31 1 0.63486509 0.67053555 0.89791949 1.0
Zn Zn32 1 0.96432954 0.63486509 0.10208051 1.0
Zn Zn33 1 0.20274527 0.60137264 0.94878622 1.0
Zn Zn34 1 0.09508124 0.90491876 0.34432478 1.0
Zn Zn35 1 0.56413113 0.12826226 0.64362269 1.0
Zn Zn36 1 0.80983751 0.90491876 0.34432478 1.0
Zn Zn37 1 0.73076141 0.26923859 0.75000000 1.0
Zn Zn38 1 0.43586887 0.87173774 0.35637731 1.0
Zn Zn39 1 0.32946445 0.36513491 0.89791949 1.0
Zn Zn40 1 0.03567046 0.67053555 0.89791949 1.0
Zn Zn41 1 0.52853053 0.76426526 0.84141181 1.0
Zn Zn42 1 0.79955694 0.79955694 0.00000000 1.0
Zn Zn43 1 0.36513491 0.03567046 0.39791949 1.0
Zn Zn44 1 0.90491876 0.80983751 0.65567522 1.0
Zn Zn45 1 0.91603219 0.63538272 0.75000000 1.0
Zn Zn46 1 0.20044306 0.20044306 0.50000000 1.0
Zn Zn47 1 0.00000000 0.00000000 0.75000000 1.0
Zn Zn48 1 0.67053555 0.03567046 0.10208051 1.0
Zn Zn49 1 0.60137264 0.39862736 0.44878622 1.0
Zn Zn50 1 0.23573474 0.47146947 0.84141181 1.0
Zn Zn51 1 0.76426526 0.52853053 0.34141181 1.0
Zn Zn52 1 0.76426526 0.52853053 0.15858819 1.0
Zn Zn53 1 0.96432954 0.32946445 0.10208051 1.0
Zn Zn54 1 0.28064947 0.91603219 0.25000000 1.0
Zn Zn55 1 0.47146947 0.23573474 0.34141181 1.0
Zn Zn56 1 0.03567046 0.36513491 0.60208051 1.0
Zn Zn57 1 0.33333300 0.66666700 0.75000000 1.0
Zn Zn58 1 0.90491876 0.80983751 0.84432478 1.0
Zn Zn59 1 0.03567046 0.36513491 0.89791949 1.0
Zn Zn60 1 0.79955694 0.00000000 0.00000000 1.0
Zn Zn61 1 0.67053555 0.03567046 0.39791949 1.0
Zn Zn62 1 0.36513491 0.03567046 0.10208051 1.0
Zn Zn63 1 0.36461728 0.08396781 0.75000000 1.0
Zn Zn64 1 0.91603219 0.28064947 0.75000000 1.0
Zn Zn65 1 0.00000000 0.79955694 0.00000000 1.0
Zn Zn66 1 0.43586887 0.56413113 0.14362269 1.0
Zn Zn67 1 0.12826226 0.56413113 0.35637731 1.0
Zn Zn68 1 0.71935053 0.08396781 0.75000000 1.0
Zn Zn69 1 0.09508124 0.19016249 0.15567522 1.0
Zn Zn70 1 0.03567046 0.67053555 0.60208051 1.0
Zn Zn71 1 0.32946445 0.36513491 0.60208051 1.0
Zn Zn72 1 0.56413113 0.12826226 0.85637731 1.0
Zn Zn73 1 0.63486509 0.67053555 0.60208051 1.0
Zn Zn74 1 0.36513491 0.32946445 0.10208051 1.0
Zn Zn75 1 0.43586887 0.56413113 0.35637731 1.0
Zn Zn76 1 0.50000000 0.00000000 0.50000000 1.0
Zn Zn77 1 0.60137264 0.20274527 0.05121378 1.0
Zn Zn78 1 0.79725473 0.39862736 0.44878622 1.0
Zn Zn79 1 0.73076141 0.46152282 0.75000000 1.0
Zn Zn80 1 0.39862736 0.79725473 0.94878622 1.0
Zn Zn81 1 0.66666700 0.33333300 0.90381796 1.0
Zn Zn82 1 0.67053555 0.63486509 0.10208051 1.0
Zn Zn83 1 0.76426526 0.23573474 0.15858819 1.0
Zn Zn84 1 0.28064947 0.36461728 0.25000000 1.0
Zn Zn85 1 0.39862736 0.60137264 0.55121378 1.0
Zn Zn86 1 0.00000000 0.00000000 0.25000000 1.0
Zn Zn87 1 0.20274527 0.60137264 0.55121378 1.0
Zn Zn88 1 0.76426526 0.23573474 0.34141181 1.0
Zn Zn89 1 0.80983751 0.90491876 0.15567522 1.0
Zn Zn90 1 0.32946445 0.96432954 0.89791949 1.0
Zn Zn91 1 0.87173774 0.43586887 0.85637731 1.0
Zn Zn92 1 0.12826226 0.56413113 0.14362269 1.0
Zn Zn93 1 0.96432954 0.32946445 0.39791949 1.0
Zn Zn94 1 0.63538272 0.71935053 0.25000000 1.0
Zn Zn95 1 0.56413113 0.43586887 0.85637731 1.0
Zn Zn96 1 0.90491876 0.09508124 0.65567522 1.0
Zn Zn97 1 0.79955694 0.79955694 0.50000000 1.0
Zn Zn98 1 0.00000000 0.50000000 0.00000000 1.0
Zn Zn99 1 0.19016249 0.09508124 0.65567522 1.0
Zn Zn100 1 0.20044306 0.20044306 0.00000000 1.0
Zn Zn101 1 0.20044306 0.00000000 0.50000000 1.0
Zn Zn102 1 0.08396781 0.36461728 0.25000000 1.0
Zn Zn103 1 0.67053555 0.63486509 0.39791949 1.0
Zn Zn104 1 0.52853053 0.76426526 0.65858819 1.0
Zn Zn105 1 0.79725473 0.39862736 0.05121378 1.0
Zn Zn106 1 1.00000000 0.20044306 0.50000000 1.0
Zn Zn107 1 0.60137264 0.20274527 0.44878622 1.0
Zn Zn108 1 0.23573474 0.76426526 0.84141181 1.0
Zn Zn109 1 0.66666700 0.33333300 0.25000000 1.0
Zn Zn110 1 0.43586887 0.87173774 0.14362269 1.0
Zn Zn111 1 0.00000000 0.50000000 0.50000000 1.0
Zn Zn112 1 0.50000000 0.50000000 0.00000000 1.0
Zn Zn113 1 0.23573474 0.76426526 0.65858819 1.0
Zn Zn114 1 0.33333300 0.66666700 0.40381796 1.0
Zn Zn115 1 0.20044306 0.00000000 0.00000000 1.0
Zn Zn116 1 0.08396781 0.71935053 0.25000000 1.0
Zn Zn117 1 0.00000000 0.79955694 0.50000000 1.0
Zn Zn118 1 0.63486509 0.96432954 0.89791949 1.0
Zn Zn119 1 0.50000000 0.50000000 0.50000000 1.0
Zn Zn120 1 0.19016249 0.09508124 0.84432478 1.0
Zn Zn121 1 0.53847718 0.26923859 0.75000000 1.0
Zn Zn122 1 0.09508124 0.90491876 0.15567522 1.0
Zn Zn123 1 0.71935053 0.63538272 0.75000000 1.0
Zn Zn124 1 0.56413113 0.43586887 0.64362269 1.0
Zn Zn125 1 0.36461728 0.28064947 0.75000000 1.0
Zn Zn126 1 0.26923859 0.73076141 0.25000000 1.0
Zn Zn127 1 0.96432954 0.63486509 0.39791949 1.0
Zn Zn128 1 0.33333300 0.66666700 0.09618204 1.0
Zn Zn129 1 0.26923859 0.53847718 0.25000000 1.0
Zn Zn130 1 0.79955694 0.00000000 0.50000000 1.0
Zn Zn131 1 0.63538272 0.91603219 0.25000000 1.0
Zn Zn132 1 0.50000000 0.00000000 0.00000000 1.0
Zn Zn133 1 0.87173774 0.43586887 0.64362269 1.0
Zn Zn134 1 0.32946445 0.96432954 0.60208051 1.0
Zn Zn135 1 0.09508124 0.19016249 0.34432478 1.0
Zn Zn136 1 0.39862736 0.60137264 0.94878622 1.0
Zn Zn137 1 0.90491876 0.09508124 0.84432478 1.0
Zn Zn138 1 0.23573474 0.47146947 0.65858819 1.0
Zn Zn139 1 0.66666700 0.33333300 0.59618204 1.0
Zn Zn140 1 0.39862736 0.79725473 0.55121378 1.0
Zn Zn141 1 0.46152282 0.73076141 0.25000000 1.0