Cd27Pd8
传统材料 TRAMP-ID: mp-607960 · 空间群: Cmc2_1 (#36)
基础信息
化学式
Cd27Pd8
MP-ID
mp-607960
元素数
2
位点数
70
密度
4.8011
g/cm³
体积
2,688.38
ų
晶胞参数 a
8.5379
Å
晶胞参数 b
8.5379
Å
晶胞参数 c
39.2018
Å
α 角
90.00
°
β 角
90.00
°
γ 角
109.82
°
空间群
Cmc2_1
点群
mm2
晶体系统
Orthorhombic
Bravais 格子
oC
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.01313
eV/atom
能量/原子
-1.91143
eV/atom
凸包距离
0.2074
eV/atom
未修正能量
-1.9114
eV/atom
体积/原子
38.41
ų
c/a 比
4.5915
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
0.0486
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000020
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 · 0.771
元素家族
N/A
溶质分数
0.229
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.584
家族
Binary Alloy
基质元素
Cd · 0.771
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-607960
参考引用
The crystal structure and related material properties of Cd27Pd8 were obtained from the Materials Project database (MP-ID: mp-607960, 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_Cd27Pd8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.53792588
_cell_length_b 8.53792605
_cell_length_c 39.20180013
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.81987173
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd27Pd8
_chemical_formula_sum 'Cd54 Pd16'
_cell_volume 2688.38283052
_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
Cd Cd0 1 0.79974254 0.45463286 0.02230836 1.0
Cd Cd1 1 0.06039400 0.69625906 0.15923043 1.0
Cd Cd2 1 0.13014578 0.38331779 0.59340735 1.0
Cd Cd3 1 0.28432353 0.92571088 0.21346400 1.0
Cd Cd4 1 0.57969669 0.23365497 0.08469831 1.0
Cd Cd5 1 0.93960600 0.30374094 0.65923043 1.0
Cd Cd6 1 0.46015328 0.46015328 0.03014068 1.0
Cd Cd7 1 0.53984672 0.53984672 0.53014068 1.0
Cd Cd8 1 0.38331779 0.13014578 0.59340735 1.0
Cd Cd9 1 0.60443591 0.86022636 0.22268446 1.0
Cd Cd10 1 0.52241882 0.52241882 0.19511656 1.0
Cd Cd11 1 0.77302258 0.42707191 0.72642947 1.0
Cd Cd12 1 0.22697742 0.57292809 0.22642947 1.0
Cd Cd13 1 0.66699683 0.92498534 0.52852454 1.0
Cd Cd14 1 0.58535442 0.81641510 0.65415206 1.0
Cd Cd15 1 0.04682181 0.04682181 0.15316552 1.0
Cd Cd16 1 0.03523700 0.03523700 0.73191652 1.0
Cd Cd17 1 0.27041264 0.92208473 0.10127996 1.0
Cd Cd18 1 0.81641510 0.58535442 0.65415206 1.0
Cd Cd19 1 0.96476300 0.96476300 0.23191652 1.0
Cd Cd20 1 0.47758118 0.47758118 0.69511656 1.0
Cd Cd21 1 0.42030331 0.76634503 0.58469831 1.0
Cd Cd22 1 0.39556409 0.13977364 0.72268446 1.0
Cd Cd23 1 0.45463286 0.79974254 0.02230836 1.0
Cd Cd24 1 0.86022636 0.60443591 0.22268446 1.0
Cd Cd25 1 0.07428912 0.71567647 0.71346400 1.0
Cd Cd26 1 0.86985422 0.61668221 0.09340735 1.0
Cd Cd27 1 0.20025746 0.54536714 0.52230836 1.0
Cd Cd28 1 0.95317819 0.95317819 0.65316552 1.0
Cd Cd29 1 0.07501466 0.33300317 0.02852454 1.0
Cd Cd30 1 0.92571088 0.28432353 0.21346400 1.0
Cd Cd31 1 0.92498534 0.66699683 0.52852454 1.0
Cd Cd32 1 0.57292809 0.22697742 0.22642947 1.0
Cd Cd33 1 0.13977364 0.39556409 0.72268446 1.0
Cd Cd34 1 0.47951717 0.47951717 0.61686258 1.0
Cd Cd35 1 0.61668221 0.86985422 0.09340735 1.0
Cd Cd36 1 0.41464558 0.18358490 0.15415206 1.0
Cd Cd37 1 0.07791527 0.72958736 0.60127996 1.0
Cd Cd38 1 0.03286134 0.03286134 0.57299722 1.0
Cd Cd39 1 0.69625906 0.06039400 0.15923043 1.0
Cd Cd40 1 0.33300317 0.07501466 0.02852454 1.0
Cd Cd41 1 0.30374094 0.93960600 0.65923043 1.0
Cd Cd42 1 0.96713866 0.96713866 0.07299722 1.0
Cd Cd43 1 0.54536714 0.20025746 0.52230836 1.0
Cd Cd44 1 0.42707191 0.77302258 0.72642947 1.0
Cd Cd45 1 0.23365497 0.57969669 0.08469831 1.0
Cd Cd46 1 0.76634503 0.42030331 0.58469831 1.0
Cd Cd47 1 0.92208473 0.27041264 0.10127996 1.0
Cd Cd48 1 0.52048283 0.52048283 0.11686258 1.0
Cd Cd49 1 0.71567647 0.07428912 0.71346400 1.0
Cd Cd50 1 0.97850289 0.97850289 0.99799371 1.0
Cd Cd51 1 0.18358490 0.41464558 0.15415206 1.0
Cd Cd52 1 0.72958736 0.07791527 0.60127996 1.0
Cd Cd53 1 0.02149711 0.02149711 0.49799371 1.0
Pd Pd54 1 0.25792972 0.25792972 0.98048576 1.0
Pd Pd55 1 0.76268446 0.76268446 0.15307388 1.0
Pd Pd56 1 0.74459326 0.09199593 0.03893250 1.0
Pd Pd57 1 0.23729429 0.59594859 0.65214223 1.0
Pd Pd58 1 0.24922298 0.24922298 0.09166296 1.0
Pd Pd59 1 0.75731182 0.75731182 0.71237725 1.0
Pd Pd60 1 0.90800407 0.25540674 0.53893250 1.0
Pd Pd61 1 0.40405141 0.76270571 0.15214223 1.0
Pd Pd62 1 0.09199593 0.74459326 0.03893250 1.0
Pd Pd63 1 0.76270571 0.40405141 0.15214223 1.0
Pd Pd64 1 0.75077702 0.75077702 0.59166296 1.0
Pd Pd65 1 0.59594859 0.23729429 0.65214223 1.0
Pd Pd66 1 0.25540674 0.90800407 0.53893250 1.0
Pd Pd67 1 0.24268818 0.24268818 0.21237725 1.0
Pd Pd68 1 0.74207028 0.74207028 0.48048576 1.0
Pd Pd69 1 0.23731554 0.23731554 0.65307388 1.0