Cd85Pd27
传统材料 TRAMP-ID: mp-647220 · 空间群: Fmm2 (#42)
基础信息
化学式
Cd85Pd27
MP-ID
mp-647220
元素数
2
位点数
112
密度
9.3059
g/cm³
体积
2,217.69
ų
晶胞参数 a
8.8321
Å
晶胞参数 b
8.8321
Å
晶胞参数 c
30.6782
Å
α 角
95.43
°
β 角
95.43
°
γ 角
110.01
°
空间群
Fmm2
点群
mm2
晶体系统
Orthorhombic
Bravais 格子
oF
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.20491
eV/atom
能量/原子
-2.18221
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.1822
eV/atom
体积/原子
19.80
ų
c/a 比
3.4735
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
0.1327
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000060
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 · 0.759
元素家族
N/A
溶质分数
0.241
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.722
家族
Binary Alloy
基质元素
Cd · 0.759
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-647220
参考引用
The crystal structure and related material properties of Cd85Pd27 were obtained from the Materials Project database (MP-ID: mp-647220, 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_Cd85Pd27
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83206036
_cell_length_b 8.83206034
_cell_length_c 30.67814834
_cell_angle_alpha 95.43302630
_cell_angle_beta 95.43302628
_cell_angle_gamma 110.01362488
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd85Pd27
_chemical_formula_sum 'Cd85 Pd27'
_cell_volume 2217.68646263
_cell_formula_units_Z 1
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 0.33617726 0.71316693 0.77783528 1.0
Cd Cd1 1 0.19312434 0.55087813 0.44765479 1.0
Cd Cd2 1 0.55087813 0.19312434 0.44765479 1.0
Cd Cd3 1 0.26715096 0.26715096 0.09502643 1.0
Cd Cd4 1 0.29221543 0.06165965 0.23087119 1.0
Cd Cd5 1 0.40100934 0.40100934 0.38100007 1.0
Cd Cd6 1 0.87606148 0.65507025 0.61866932 1.0
Cd Cd7 1 0.78210483 0.78210483 0.14599782 1.0
Cd Cd8 1 0.83078846 0.06134424 0.76912881 1.0
Cd Cd9 1 0.10322334 0.74546955 0.55234521 1.0
Cd Cd10 1 0.90793515 0.15712112 0.07969321 1.0
Cd Cd11 1 0.80163179 0.44364789 0.91384995 1.0
Cd Cd12 1 0.39493603 0.76686402 0.38669812 1.0
Cd Cd13 1 0.02000927 0.02000927 0.61899993 1.0
Cd Cd14 1 0.93533165 0.55834197 0.22216472 1.0
Cd Cd15 1 0.94206044 0.31497612 0.00000000 1.0
Cd Cd16 1 0.79275743 0.54377081 0.30561203 1.0
Cd Cd17 1 0.60764793 0.98178059 0.83539229 1.0
Cd Cd18 1 0.98178059 0.60764793 0.83539229 1.0
Cd Cd19 1 0.52598424 0.88354818 0.70342966 1.0
Cd Cd20 1 0.54377081 0.79275743 0.30561203 1.0
Cd Cd21 1 0.65742421 0.42078888 0.15304327 1.0
Cd Cd22 1 0.07742791 0.82824195 0.92030679 1.0
Cd Cd23 1 0.48714540 0.23815878 0.69438797 1.0
Cd Cd24 1 0.14896449 0.50416071 0.93464041 1.0
Cd Cd25 1 0.53472779 0.53472779 0.47307253 1.0
Cd Cd26 1 0.14638830 0.77225564 0.16460771 1.0
Cd Cd27 1 0.26774562 0.50438095 0.84695673 1.0
Cd Cd28 1 0.90507369 0.25493376 0.46728867 1.0
Cd Cd29 1 0.15712112 0.90793515 0.07969321 1.0
Cd Cd30 1 0.14981821 0.14981821 0.71412408 1.0
Cd Cd31 1 0.82369266 0.17993872 0.68164418 1.0
Cd Cd32 1 0.35654268 0.35654268 0.18986986 1.0
Cd Cd33 1 0.67157676 0.45022367 0.00000000 1.0
Cd Cd34 1 0.63610700 0.63610700 0.85400218 1.0
Cd Cd35 1 0.06165526 0.06165526 0.52692747 1.0
Cd Cd36 1 0.38016590 0.00823792 0.61330188 1.0
Cd Cd37 1 0.06165965 0.29221543 0.23087119 1.0
Cd Cd38 1 0.65507025 0.87606148 0.61866932 1.0
Cd Cd39 1 0.78764509 0.43778502 0.53271133 1.0
Cd Cd40 1 0.89461476 0.89461476 0.33095193 1.0
Cd Cd41 1 0.69145409 0.69145409 0.76378063 1.0
Cd Cd42 1 0.71316693 0.33617726 0.77783528 1.0
Cd Cd43 1 0.52995534 0.52995534 0.57308266 1.0
Cd Cd44 1 0.49829455 0.14204848 0.31835582 1.0
Cd Cd45 1 0.16667283 0.16667283 0.81013014 1.0
Cd Cd46 1 0.25493376 0.90507369 0.46728867 1.0
Cd Cd47 1 0.30586354 0.30586354 1.00000000 1.0
Cd Cd48 1 0.43778502 0.78764509 0.53271133 1.0
Cd Cd49 1 0.55834197 0.93533165 0.22216472 1.0
Cd Cd50 1 0.50416071 0.14896449 0.93464041 1.0
Cd Cd51 1 0.80593818 0.80593818 0.04869953 1.0
Cd Cd52 1 0.74546955 0.10322334 0.55234521 1.0
Cd Cd53 1 0.43569413 0.43569413 0.28587592 1.0
Cd Cd54 1 0.95687268 0.95687268 0.42691734 1.0
Cd Cd55 1 0.52979793 0.88778183 0.08615005 1.0
Cd Cd56 1 0.42834931 0.18936431 0.53722359 1.0
Cd Cd57 1 0.92767346 0.92767346 0.23621937 1.0
Cd Cd58 1 0.44364789 0.80163179 0.91384995 1.0
Cd Cd59 1 0.25739216 0.03640093 0.38133068 1.0
Cd Cd60 1 0.88354818 0.52598424 0.70342966 1.0
Cd Cd61 1 0.23815878 0.48714540 0.69438797 1.0
Cd Cd62 1 0.06134424 0.83078846 0.76912881 1.0
Cd Cd63 1 0.21432408 0.56952029 0.06535959 1.0
Cd Cd64 1 0.14204848 0.49829455 0.31835582 1.0
Cd Cd65 1 0.18011852 0.82255459 0.29657034 1.0
Cd Cd66 1 0.76686402 0.39493603 0.38669812 1.0
Cd Cd67 1 0.00823792 0.38016590 0.61330188 1.0
Cd Cd68 1 0.56952029 0.21432408 0.06535959 1.0
Cd Cd69 1 0.17212453 0.17212453 0.90497357 1.0
Cd Cd70 1 0.89112572 0.65214072 0.46277641 1.0
Cd Cd71 1 0.56366284 0.56366284 0.66904807 1.0
Cd Cd72 1 0.17993872 0.82369266 0.68164418 1.0
Cd Cd73 1 0.50438095 0.26774562 0.84695673 1.0
Cd Cd74 1 0.77225564 0.14638830 0.16460771 1.0
Cd Cd75 1 0.88778183 0.52979793 0.08615005 1.0
Cd Cd76 1 0.42078888 0.65742421 0.15304327 1.0
Cd Cd77 1 0.03640093 0.25739216 0.38133068 1.0
Cd Cd78 1 0.18936431 0.42834931 0.53722359 1.0
Cd Cd79 1 0.45022367 0.67157676 0.00000000 1.0
Cd Cd80 1 0.82255459 0.18011852 0.29657034 1.0
Cd Cd81 1 0.65214072 0.89112572 0.46277641 1.0
Cd Cd82 1 0.75723864 0.75723864 0.95130047 1.0
Cd Cd83 1 0.82824195 0.07742791 0.92030679 1.0
Cd Cd84 1 0.31497612 0.94206044 0.00000000 1.0
Pd Pd85 1 0.78402407 0.78402407 0.53870182 1.0
Pd Pd86 1 0.42582401 0.07554322 0.14831089 1.0
Pd Pd87 1 0.16656529 0.16656529 0.30572825 1.0
Pd Pd88 1 0.04706981 0.39705661 0.76449567 1.0
Pd Pd89 1 0.07554322 0.42582401 0.14831089 1.0
Pd Pd90 1 0.02771080 0.02771080 0.00000000 1.0
Pd Pd91 1 0.24532226 0.24532226 0.46129818 1.0
Pd Pd92 1 0.66083315 0.01449386 0.00000000 1.0
Pd Pd93 1 0.90882881 0.90882881 0.84433853 1.0
Pd Pd94 1 0.66619412 0.31177450 0.61722464 1.0
Pd Pd95 1 0.04896948 0.69454985 0.38277536 1.0
Pd Pd96 1 0.86083703 0.86083703 0.69427175 1.0
Pd Pd97 1 0.92723233 0.27751312 0.85168911 1.0
Pd Pd98 1 0.67909255 0.67909255 0.38496405 1.0
Pd Pd99 1 0.54143163 0.54143163 0.07721304 1.0
Pd Pd100 1 0.28257414 0.63256093 0.23550433 1.0
Pd Pd101 1 0.06449029 0.06449029 0.15566147 1.0
Pd Pd102 1 0.64393048 0.64393048 0.22927416 1.0
Pd Pd103 1 0.46421859 0.46421859 0.92278696 1.0
Pd Pd104 1 0.69454985 0.04896948 0.38277536 1.0
Pd Pd105 1 0.01449386 0.66083315 0.00000000 1.0
Pd Pd106 1 0.29412850 0.29412850 0.61503595 1.0
Pd Pd107 1 0.39705661 0.04706981 0.76449567 1.0
Pd Pd108 1 0.27751312 0.92723233 0.85168911 1.0
Pd Pd109 1 0.31177450 0.66619412 0.61722464 1.0
Pd Pd110 1 0.63256093 0.28257414 0.23550433 1.0
Pd Pd111 1 0.41465632 0.41465632 0.77072584 1.0