Pr11Cd45
传统材料 TRAMP-ID: mp-1204245 · 空间群: F-43m (#216)
基础信息
化学式
Pr11Cd45
MP-ID
mp-1204245
元素数
2
位点数
112
密度
8.2843
g/cm³
体积
2,649.27
ų
晶胞参数 a
15.5315
Å
晶胞参数 b
15.5315
Å
晶胞参数 c
15.5315
Å
α 角
60.00
°
β 角
60.00
°
γ 角
60.00
°
空间群
F-43m
点群
-43m
晶体系统
Cubic
Bravais 格子
cF
稳定性
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.31967
eV/atom
能量/原子
-22.25124
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-22.2512
eV/atom
体积/原子
23.65
ų
c/a 比
1.0000
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 · 0.804
元素家族
N/A
溶质分数
0.196
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.643
家族
Binary Alloy
基质元素
Cd · 0.804
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-1204245
参考引用
The crystal structure and related material properties of Pr11Cd45 were obtained from the Materials Project database (MP-ID: mp-1204245, 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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拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Pr11Cd45
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.53144823
_cell_length_b 15.53151050
_cell_length_c 15.53145948
_cell_angle_alpha 60.00011553
_cell_angle_beta 60.00041752
_cell_angle_gamma 60.00024780
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr11Cd45
_chemical_formula_sum 'Pr22 Cd90'
_cell_volume 2649.26548199
_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 0.00000057 0.00000115 0.99999875 1.0
Pr Pr1 1 0.01390971 0.33188955 0.64028859 1.0
Pr Pr2 1 0.01390844 0.01390964 0.64028847 1.0
Pr Pr3 1 0.33188877 0.01391119 0.64028783 1.0
Pr Pr4 1 0.01390920 0.64028930 0.33188973 1.0
Pr Pr5 1 0.33188854 0.64028953 0.01390969 1.0
Pr Pr6 1 0.01390881 0.64028949 0.01390898 1.0
Pr Pr7 1 0.64028898 0.01390951 0.01390833 1.0
Pr Pr8 1 0.64028897 0.33188898 0.01390957 1.0
Pr Pr9 1 0.64028814 0.01391015 0.33188996 1.0
Pr Pr10 1 0.33189101 0.01391166 0.01391094 1.0
Pr Pr11 1 0.01390978 0.01391086 0.33189215 1.0
Pr Pr12 1 0.01391072 0.33189162 0.01391093 1.0
Pr Pr13 1 0.24999843 0.24999951 0.24999888 1.0
Pr Pr14 1 0.40660612 0.40660729 0.78018052 1.0
Pr Pr15 1 0.40660582 0.78018222 0.40660580 1.0
Pr Pr16 1 0.78018072 0.40660705 0.40660581 1.0
Pr Pr17 1 0.40660546 0.40660723 0.40660523 1.0
Pr Pr18 1 0.66249015 0.66249157 0.01252563 1.0
Pr Pr19 1 0.66249036 0.01252599 0.66249119 1.0
Pr Pr20 1 0.01252460 0.66249081 0.66249138 1.0
Pr Pr21 1 0.66249053 0.66249100 0.66249200 1.0
Cd Cd22 1 0.08296699 0.08296790 0.75108763 1.0
Cd Cd23 1 0.08296681 0.75108836 0.08296864 1.0
Cd Cd24 1 0.75108858 0.08296686 0.08296780 1.0
Cd Cd25 1 0.08297051 0.08296997 0.08297205 1.0
Cd Cd26 1 0.91165036 0.91164899 0.26505068 1.0
Cd Cd27 1 0.91164930 0.26505448 0.91164816 1.0
Cd Cd28 1 0.26505439 0.91164916 0.91164932 1.0
Cd Cd29 1 0.91164873 0.91164925 0.91164782 1.0
Cd Cd30 1 0.15684895 0.15684690 0.84315177 1.0
Cd Cd31 1 0.84315111 0.15684029 0.84314994 1.0
Cd Cd32 1 0.15683969 0.84315139 0.84315285 1.0
Cd Cd33 1 0.84315312 0.84315046 0.15684164 1.0
Cd Cd34 1 0.15684526 0.84315176 0.15684911 1.0
Cd Cd35 1 0.84315235 0.15684507 0.15685082 1.0
Cd Cd36 1 0.39055670 0.20163049 0.01725440 1.0
Cd Cd37 1 0.39055810 0.39055287 0.01725610 1.0
Cd Cd38 1 0.20163172 0.39055415 0.01725480 1.0
Cd Cd39 1 0.39055228 0.01725526 0.20163247 1.0
Cd Cd40 1 0.20163429 0.01725376 0.39055506 1.0
Cd Cd41 1 0.39055514 0.01725969 0.39055624 1.0
Cd Cd42 1 0.01725458 0.39055715 0.39055612 1.0
Cd Cd43 1 0.01725364 0.20163018 0.39055747 1.0
Cd Cd44 1 0.01725667 0.39055475 0.20162772 1.0
Cd Cd45 1 0.20163757 0.39055658 0.39055297 1.0
Cd Cd46 1 0.39055828 0.39055248 0.20162892 1.0
Cd Cd47 1 0.39055812 0.20163130 0.39055223 1.0
Cd Cd48 1 0.16396794 0.16395918 0.50813958 1.0
Cd Cd49 1 0.16395871 0.50811654 0.16396012 1.0
Cd Cd50 1 0.50813908 0.16395927 0.16396945 1.0
Cd Cd51 1 0.16395996 0.16396119 0.16396228 1.0
Cd Cd52 1 0.26306160 0.61409583 0.85978642 1.0
Cd Cd53 1 0.26305862 0.26305768 0.85979059 1.0
Cd Cd54 1 0.61409539 0.26306247 0.85978401 1.0
Cd Cd55 1 0.26306069 0.85978709 0.61409582 1.0
Cd Cd56 1 0.61409794 0.85978619 0.26305805 1.0
Cd Cd57 1 0.26305860 0.85978975 0.26305694 1.0
Cd Cd58 1 0.85978744 0.26306385 0.26305521 1.0
Cd Cd59 1 0.85978776 0.61409637 0.26305873 1.0
Cd Cd60 1 0.85978622 0.26306232 0.61409362 1.0
Cd Cd61 1 0.61409598 0.26305555 0.26305890 1.0
Cd Cd62 1 0.26305715 0.26305762 0.61409511 1.0
Cd Cd63 1 0.26305802 0.61409628 0.26305702 1.0
Cd Cd64 1 0.49999983 0.49999680 0.50000108 1.0
Cd Cd65 1 0.64027961 0.45077373 0.26866845 1.0
Cd Cd66 1 0.64028040 0.64028088 0.26866322 1.0
Cd Cd67 1 0.45077273 0.64028177 0.26866601 1.0
Cd Cd68 1 0.64028097 0.26866614 0.45077467 1.0
Cd Cd69 1 0.45077461 0.26866723 0.64028051 1.0
Cd Cd70 1 0.64028039 0.26866340 0.64028014 1.0
Cd Cd71 1 0.26866220 0.64028111 0.64028037 1.0
Cd Cd72 1 0.26866696 0.45077447 0.64027997 1.0
Cd Cd73 1 0.26866488 0.64028183 0.45077399 1.0
Cd Cd74 1 0.45077160 0.64027924 0.64027895 1.0
Cd Cd75 1 0.64027938 0.64027883 0.45077190 1.0
Cd Cd76 1 0.64027919 0.45077094 0.64027898 1.0
Cd Cd77 1 0.51209686 0.83290760 0.14290066 1.0
Cd Cd78 1 0.51209491 0.51209650 0.14290118 1.0
Cd Cd79 1 0.83290755 0.51209719 0.14290167 1.0
Cd Cd80 1 0.51209832 0.14289946 0.83290734 1.0
Cd Cd81 1 0.83290696 0.14290043 0.51209761 1.0
Cd Cd82 1 0.51209637 0.14290125 0.51209574 1.0
Cd Cd83 1 0.14290032 0.51209688 0.51209420 1.0
Cd Cd84 1 0.14289877 0.83290788 0.51209696 1.0
Cd Cd85 1 0.14289864 0.51209915 0.83290809 1.0
Cd Cd86 1 0.83290612 0.51209448 0.51209332 1.0
Cd Cd87 1 0.51209385 0.51209499 0.83290689 1.0
Cd Cd88 1 0.51209411 0.83290709 0.51209374 1.0
Cd Cd89 1 0.75000362 0.75000689 0.74999970 1.0
Cd Cd90 1 0.83038405 0.83038508 0.50885649 1.0
Cd Cd91 1 0.83038349 0.50886114 0.83038021 1.0
Cd Cd92 1 0.50885891 0.83038514 0.83038172 1.0
Cd Cd93 1 0.83038326 0.83038637 0.83038083 1.0
Cd Cd94 1 0.91186061 0.91186160 0.58814146 1.0
Cd Cd95 1 0.58813940 0.91185960 0.58814096 1.0
Cd Cd96 1 0.91185920 0.58814050 0.58813882 1.0
Cd Cd97 1 0.58814010 0.58814118 0.91185920 1.0
Cd Cd98 1 0.91185957 0.58814318 0.91186172 1.0
Cd Cd99 1 0.58814151 0.91186044 0.91186099 1.0
Cd Cd100 1 0.76314320 0.07012794 0.40358056 1.0
Cd Cd101 1 0.76313952 0.76314673 0.40358064 1.0
Cd Cd102 1 0.07012726 0.76314388 0.40357886 1.0
Cd Cd103 1 0.76314753 0.40357812 0.07012844 1.0
Cd Cd104 1 0.07012867 0.40357935 0.76314657 1.0
Cd Cd105 1 0.76314819 0.40357354 0.76314668 1.0
Cd Cd106 1 0.40357964 0.76314417 0.76314334 1.0
Cd Cd107 1 0.40358032 0.07012988 0.76314205 1.0
Cd Cd108 1 0.40357618 0.76314933 0.07012751 1.0
Cd Cd109 1 0.07013671 0.76313636 0.76314654 1.0
Cd Cd110 1 0.76313544 0.76314374 0.07013887 1.0
Cd Cd111 1 0.76314389 0.07012663 0.76315023 1.0