Pr13Cd58
传统材料 TRAMP-ID: mp-581655 · 空间群: P6_3/mmc (#194)
基础信息
化学式
Pr13Cd58
MP-ID
mp-581655
元素数
2
位点数
142
密度
7.9426
g/cm³
体积
3,492.13
ų
晶胞参数 a
16.0292
Å
晶胞参数 b
16.0292
Å
晶胞参数 c
15.6941
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
-0.29868
eV/atom
能量/原子
-22.10630
eV/atom
凸包距离
0.0055
eV/atom
未修正能量
-1.8864
eV/atom
体积/原子
24.59
ų
c/a 比
0.9791
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
Cd · 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
0.635
家族
Binary Alloy
基质元素
Cd · 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-581655
参考引用
The crystal structure and related material properties of Pr13Cd58 were obtained from the Materials Project database (MP-ID: mp-581655, 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_Pr13Cd58
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.02919713
_cell_length_b 16.02919703
_cell_length_c 15.69410234
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000018
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr13Cd58
_chemical_formula_sum 'Pr26 Cd116'
_cell_volume 3492.13197764
_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
Pr Pr0 1 0.41097733 0.20548867 0.55212687 1.0
Pr Pr1 1 0.87186379 0.74372757 0.25000000 1.0
Pr Pr2 1 0.20548867 0.41097733 0.05212687 1.0
Pr Pr3 1 0.08562369 0.54281184 0.75000000 1.0
Pr Pr4 1 0.79451133 0.58902267 0.94787313 1.0
Pr Pr5 1 0.79451133 0.20548867 0.55212687 1.0
Pr Pr6 1 0.91437631 0.45718816 0.25000000 1.0
Pr Pr7 1 0.79451133 0.20548867 0.94787313 1.0
Pr Pr8 1 0.79451133 0.58902267 0.55212687 1.0
Pr Pr9 1 0.45718816 0.91437631 0.75000000 1.0
Pr Pr10 1 0.12813621 0.87186379 0.75000000 1.0
Pr Pr11 1 0.87186379 0.12813621 0.25000000 1.0
Pr Pr12 1 0.58902267 0.79451133 0.05212687 1.0
Pr Pr13 1 0.58902267 0.79451133 0.44787313 1.0
Pr Pr14 1 0.20548867 0.79451133 0.44787313 1.0
Pr Pr15 1 0.00000000 0.00000000 0.00000000 1.0
Pr Pr16 1 0.45718816 0.54281184 0.75000000 1.0
Pr Pr17 1 0.54281184 0.08562369 0.25000000 1.0
Pr Pr18 1 0.12813621 0.25627243 0.75000000 1.0
Pr Pr19 1 0.74372757 0.87186379 0.75000000 1.0
Pr Pr20 1 0.20548867 0.41097733 0.44787313 1.0
Pr Pr21 1 0.41097733 0.20548867 0.94787313 1.0
Pr Pr22 1 0.00000000 0.00000000 0.50000000 1.0
Pr Pr23 1 0.25627243 0.12813621 0.25000000 1.0
Pr Pr24 1 0.20548867 0.79451133 0.05212687 1.0
Pr Pr25 1 0.54281184 0.45718816 0.25000000 1.0
Cd Cd26 1 0.90682263 0.09317737 0.65588124 1.0
Cd Cd27 1 0.00000000 0.19928348 0.00000000 1.0
Cd Cd28 1 0.63487662 0.96402056 0.60266228 1.0
Cd Cd29 1 0.36512338 0.32914394 0.39733772 1.0
Cd Cd30 1 0.67085606 0.63487662 0.10266228 1.0
Cd Cd31 1 0.60033147 0.39966853 0.05231455 1.0
Cd Cd32 1 0.63487662 0.67085606 0.89733772 1.0
Cd Cd33 1 0.96402056 0.63487662 0.10266228 1.0
Cd Cd34 1 0.20066294 0.60033147 0.94768545 1.0
Cd Cd35 1 0.09317737 0.90682263 0.34411876 1.0
Cd Cd36 1 0.56175601 0.12351203 0.64466011 1.0
Cd Cd37 1 0.81364526 0.90682263 0.34411876 1.0
Cd Cd38 1 0.73217592 0.26782408 0.75000000 1.0
Cd Cd39 1 0.43824399 0.87648797 0.35533989 1.0
Cd Cd40 1 0.32914394 0.36512338 0.89733772 1.0
Cd Cd41 1 0.03597944 0.67085606 0.89733772 1.0
Cd Cd42 1 0.53003187 0.76501593 0.84153662 1.0
Cd Cd43 1 0.80071652 0.80071652 0.00000000 1.0
Cd Cd44 1 0.36512338 0.03597944 0.39733772 1.0
Cd Cd45 1 0.00000000 0.19928348 0.50000000 1.0
Cd Cd46 1 0.91767013 0.63990136 0.75000000 1.0
Cd Cd47 1 0.19928348 0.19928348 0.50000000 1.0
Cd Cd48 1 0.67085606 0.03597944 0.10266228 1.0
Cd Cd49 1 0.60033147 0.39966853 0.44768545 1.0
Cd Cd50 1 0.76501593 0.53003187 0.34153662 1.0
Cd Cd51 1 0.76501593 0.53003187 0.15846338 1.0
Cd Cd52 1 0.96402056 0.32914394 0.10266228 1.0
Cd Cd53 1 0.66666700 0.33333300 0.59481930 1.0
Cd Cd54 1 0.27776878 0.91767013 0.25000000 1.0
Cd Cd55 1 0.46996813 0.23498407 0.34153662 1.0
Cd Cd56 1 0.03597944 0.36512338 0.60266228 1.0
Cd Cd57 1 0.33333300 0.66666700 0.75000000 1.0
Cd Cd58 1 0.72223122 0.08232987 0.75000000 1.0
Cd Cd59 1 0.03597944 0.36512338 0.89733772 1.0
Cd Cd60 1 0.80071652 0.00000000 0.50000000 1.0
Cd Cd61 1 0.60033147 0.20066294 0.44768545 1.0
Cd Cd62 1 0.67085606 0.03597944 0.39733772 1.0
Cd Cd63 1 0.36009864 0.08232987 0.75000000 1.0
Cd Cd64 1 0.91767013 0.27776878 0.75000000 1.0
Cd Cd65 1 0.00000000 0.80071652 0.00000000 1.0
Cd Cd66 1 0.43824399 0.56175601 0.14466011 1.0
Cd Cd67 1 0.12351203 0.56175601 0.35533989 1.0
Cd Cd68 1 0.50000000 0.00000000 0.50000000 1.0
Cd Cd69 1 0.90682263 0.81364526 0.84411876 1.0
Cd Cd70 1 0.09317737 0.18635474 0.15588124 1.0
Cd Cd71 1 0.03597944 0.67085606 0.60266228 1.0
Cd Cd72 1 0.32914394 0.36512338 0.60266228 1.0
Cd Cd73 1 0.56175601 0.12351203 0.85533989 1.0
Cd Cd74 1 0.20066294 0.60033147 0.55231455 1.0
Cd Cd75 1 0.63487662 0.67085606 0.60266228 1.0
Cd Cd76 1 0.43824399 0.56175601 0.35533989 1.0
Cd Cd77 1 0.00000000 0.00000000 0.25000000 1.0
Cd Cd78 1 0.60033147 0.20066294 0.05231455 1.0
Cd Cd79 1 0.79933706 0.39966853 0.44768545 1.0
Cd Cd80 1 0.73217592 0.46435184 0.75000000 1.0
Cd Cd81 1 0.39966853 0.79933706 0.94768545 1.0
Cd Cd82 1 0.66666700 0.33333300 0.90518070 1.0
Cd Cd83 1 0.23498407 0.46996813 0.84153662 1.0
Cd Cd84 1 0.76501593 0.23498407 0.15846338 1.0
Cd Cd85 1 0.27776878 0.36009864 0.25000000 1.0
Cd Cd86 1 0.39966853 0.60033147 0.55231455 1.0
Cd Cd87 1 0.36512338 0.03597944 0.10266228 1.0
Cd Cd88 1 0.76501593 0.23498407 0.34153662 1.0
Cd Cd89 1 0.81364526 0.90682263 0.15588124 1.0
Cd Cd90 1 0.32914394 0.96402056 0.89733772 1.0
Cd Cd91 1 0.87648797 0.43824399 0.85533989 1.0
Cd Cd92 1 0.90682263 0.81364526 0.65588124 1.0
Cd Cd93 1 0.12351203 0.56175601 0.14466011 1.0
Cd Cd94 1 0.96402056 0.32914394 0.39733772 1.0
Cd Cd95 1 0.63990136 0.72223122 0.25000000 1.0
Cd Cd96 1 0.56175601 0.43824399 0.85533989 1.0
Cd Cd97 1 0.46996813 0.23498407 0.15846338 1.0
Cd Cd98 1 0.80071652 0.80071652 0.50000000 1.0
Cd Cd99 1 0.00000000 0.00000000 0.75000000 1.0
Cd Cd100 1 0.18635474 0.09317737 0.65588124 1.0
Cd Cd101 1 0.19928348 0.19928348 0.00000000 1.0
Cd Cd102 1 0.19928348 0.00000000 0.50000000 1.0
Cd Cd103 1 0.08232987 0.36009864 0.25000000 1.0
Cd Cd104 1 0.67085606 0.63487662 0.39733772 1.0
Cd Cd105 1 0.53003187 0.76501593 0.65846338 1.0
Cd Cd106 1 0.79933706 0.39966853 0.05231455 1.0
Cd Cd107 1 0.36512338 0.32914394 0.10266228 1.0
Cd Cd108 1 0.23498407 0.76501593 0.84153662 1.0
Cd Cd109 1 0.66666700 0.33333300 0.25000000 1.0
Cd Cd110 1 0.43824399 0.87648797 0.14466011 1.0
Cd Cd111 1 0.50000000 0.50000000 0.00000000 1.0
Cd Cd112 1 0.00000000 0.50000000 0.50000000 1.0
Cd Cd113 1 0.23498407 0.76501593 0.65846338 1.0
Cd Cd114 1 0.33333300 0.66666700 0.40518070 1.0
Cd Cd115 1 0.19928348 0.00000000 0.00000000 1.0
Cd Cd116 1 0.08232987 0.72223122 0.25000000 1.0
Cd Cd117 1 0.00000000 0.80071652 0.50000000 1.0
Cd Cd118 1 0.63487662 0.96402056 0.89733772 1.0
Cd Cd119 1 0.50000000 0.50000000 0.50000000 1.0
Cd Cd120 1 0.18635474 0.09317737 0.84411876 1.0
Cd Cd121 1 0.53564816 0.26782408 0.75000000 1.0
Cd Cd122 1 0.09317737 0.90682263 0.15588124 1.0
Cd Cd123 1 0.90682263 0.09317737 0.84411876 1.0
Cd Cd124 1 0.56175601 0.43824399 0.64466011 1.0
Cd Cd125 1 0.36009864 0.27776878 0.75000000 1.0
Cd Cd126 1 0.26782408 0.73217592 0.25000000 1.0
Cd Cd127 1 0.96402056 0.63487662 0.39733772 1.0
Cd Cd128 1 0.33333300 0.66666700 0.09481930 1.0
Cd Cd129 1 0.26782408 0.53564816 0.25000000 1.0
Cd Cd130 1 0.80071652 0.00000000 0.00000000 1.0
Cd Cd131 1 0.63990136 0.91767013 0.25000000 1.0
Cd Cd132 1 0.50000000 0.00000000 0.00000000 1.0
Cd Cd133 1 0.87648797 0.43824399 0.64466011 1.0
Cd Cd134 1 0.32914394 0.96402056 0.60266228 1.0
Cd Cd135 1 0.00000000 0.50000000 0.00000000 1.0
Cd Cd136 1 0.09317737 0.18635474 0.34411876 1.0
Cd Cd137 1 0.39966853 0.60033147 0.94768545 1.0
Cd Cd138 1 0.23498407 0.46996813 0.65846338 1.0
Cd Cd139 1 0.72223122 0.63990136 0.75000000 1.0
Cd Cd140 1 0.39966853 0.79933706 0.55231455 1.0
Cd Cd141 1 0.46435184 0.73217592 0.25000000 1.0