La13Cd58
传统材料 TRAMP-ID: mp-581920 · 空间群: P6_3/mmc (#194)
基础信息
化学式
La13Cd58
MP-ID
mp-581920
元素数
2
位点数
142
密度
7.7706
g/cm³
体积
3,558.29
ų
晶胞参数 a
16.1438
Å
晶胞参数 b
16.1438
Å
晶胞参数 c
15.7653
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
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.25393
eV/atom
能量/原子
-1.94194
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-1.9419
eV/atom
体积/原子
25.06
ų
c/a 比
0.9766
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
0.718
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-581920
参考引用
The crystal structure and related material properties of La13Cd58 were obtained from the Materials Project database (MP-ID: mp-581920, 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_La13Cd58
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.14375215
_cell_length_b 16.14375246
_cell_length_c 15.76529702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999934
_symmetry_Int_Tables_number 1
_chemical_formula_structural La13Cd58
_chemical_formula_sum 'La26 Cd116'
_cell_volume 3558.29346554
_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
La La0 1 0.41128727 0.20564363 0.55182631 1.0
La La1 1 0.87225489 0.74450977 0.25000000 1.0
La La2 1 0.20564363 0.41128727 0.05182631 1.0
La La3 1 0.08457477 0.54228739 0.75000000 1.0
La La4 1 0.79435637 0.58871273 0.94817369 1.0
La La5 1 0.79435637 0.20564363 0.55182631 1.0
La La6 1 0.91542523 0.45771261 0.25000000 1.0
La La7 1 0.79435637 0.20564363 0.94817369 1.0
La La8 1 0.79435637 0.58871273 0.55182631 1.0
La La9 1 0.45771261 0.91542523 0.75000000 1.0
La La10 1 0.12774511 0.87225489 0.75000000 1.0
La La11 1 0.87225489 0.12774511 0.25000000 1.0
La La12 1 0.58871273 0.79435637 0.05182631 1.0
La La13 1 0.58871273 0.79435637 0.44817369 1.0
La La14 1 0.20564363 0.79435637 0.44817369 1.0
La La15 1 0.00000000 0.00000000 0.00000000 1.0
La La16 1 0.45771261 0.54228739 0.75000000 1.0
La La17 1 0.54228739 0.08457477 0.25000000 1.0
La La18 1 0.12774511 0.25549023 0.75000000 1.0
La La19 1 0.74450977 0.87225489 0.75000000 1.0
La La20 1 0.20564363 0.41128727 0.44817369 1.0
La La21 1 0.41128727 0.20564363 0.94817369 1.0
La La22 1 0.00000000 0.00000000 0.50000000 1.0
La La23 1 0.25549023 0.12774511 0.25000000 1.0
La La24 1 0.20564363 0.79435637 0.05182631 1.0
La La25 1 0.54228739 0.45771261 0.25000000 1.0
Cd Cd26 1 0.90580569 0.09419431 0.65615513 1.0
Cd Cd27 1 0.00000000 0.19985012 0.00000000 1.0
Cd Cd28 1 0.63479533 0.96418540 0.60277664 1.0
Cd Cd29 1 0.36520467 0.32939007 0.39722336 1.0
Cd Cd30 1 0.67060993 0.63479533 0.10277664 1.0
Cd Cd31 1 0.60052746 0.39947254 0.05306267 1.0
Cd Cd32 1 0.63479533 0.67060993 0.89722336 1.0
Cd Cd33 1 0.96418540 0.63479533 0.10277664 1.0
Cd Cd34 1 0.20105492 0.60052746 0.94693733 1.0
Cd Cd35 1 0.09419431 0.90580569 0.34384487 1.0
Cd Cd36 1 0.56249319 0.12498638 0.64349467 1.0
Cd Cd37 1 0.81161137 0.90580569 0.34384487 1.0
Cd Cd38 1 0.73160095 0.26839905 0.75000000 1.0
Cd Cd39 1 0.43750681 0.87501362 0.35650533 1.0
Cd Cd40 1 0.32939007 0.36520467 0.89722336 1.0
Cd Cd41 1 0.03581460 0.67060993 0.89722336 1.0
Cd Cd42 1 0.52985092 0.76492546 0.84144572 1.0
Cd Cd43 1 0.80014988 0.80014988 0.00000000 1.0
Cd Cd44 1 0.36520467 0.03581460 0.39722336 1.0
Cd Cd45 1 0.00000000 0.19985012 0.50000000 1.0
Cd Cd46 1 0.91737816 0.63751943 0.75000000 1.0
Cd Cd47 1 0.19985012 0.19985012 0.50000000 1.0
Cd Cd48 1 0.67060993 0.03581460 0.10277664 1.0
Cd Cd49 1 0.60052746 0.39947254 0.44693733 1.0
Cd Cd50 1 0.76492546 0.52985092 0.34144572 1.0
Cd Cd51 1 0.76492546 0.52985092 0.15855428 1.0
Cd Cd52 1 0.96418540 0.32939007 0.10277664 1.0
Cd Cd53 1 0.66666700 0.33333300 0.59420500 1.0
Cd Cd54 1 0.27985872 0.91737816 0.25000000 1.0
Cd Cd55 1 0.47014908 0.23507454 0.34144572 1.0
Cd Cd56 1 0.03581460 0.36520467 0.60277664 1.0
Cd Cd57 1 0.33333300 0.66666700 0.75000000 1.0
Cd Cd58 1 0.72014128 0.08262184 0.75000000 1.0
Cd Cd59 1 0.03581460 0.36520467 0.89722336 1.0
Cd Cd60 1 0.80014988 0.00000000 0.50000000 1.0
Cd Cd61 1 0.60052746 0.20105492 0.44693733 1.0
Cd Cd62 1 0.67060993 0.03581460 0.39722336 1.0
Cd Cd63 1 0.36248057 0.08262184 0.75000000 1.0
Cd Cd64 1 0.91737816 0.27985872 0.75000000 1.0
Cd Cd65 1 1.00000000 0.80014988 0.00000000 1.0
Cd Cd66 1 0.43750681 0.56249319 0.14349467 1.0
Cd Cd67 1 0.12498638 0.56249319 0.35650533 1.0
Cd Cd68 1 0.50000000 0.00000000 0.50000000 1.0
Cd Cd69 1 0.90580569 0.81161137 0.84384487 1.0
Cd Cd70 1 0.09419431 0.18838863 0.15615513 1.0
Cd Cd71 1 0.03581460 0.67060993 0.60277664 1.0
Cd Cd72 1 0.32939007 0.36520467 0.60277664 1.0
Cd Cd73 1 0.56249319 0.12498638 0.85650533 1.0
Cd Cd74 1 0.20105492 0.60052746 0.55306267 1.0
Cd Cd75 1 0.63479533 0.67060993 0.60277664 1.0
Cd Cd76 1 0.43750681 0.56249319 0.35650533 1.0
Cd Cd77 1 0.00000000 0.00000000 0.25000000 1.0
Cd Cd78 1 0.60052746 0.20105492 0.05306267 1.0
Cd Cd79 1 0.79894508 0.39947254 0.44693733 1.0
Cd Cd80 1 0.73160095 0.46320190 0.75000000 1.0
Cd Cd81 1 0.39947254 0.79894508 0.94693733 1.0
Cd Cd82 1 0.66666700 0.33333300 0.90579500 1.0
Cd Cd83 1 0.23507454 0.47014908 0.84144572 1.0
Cd Cd84 1 0.76492546 0.23507454 0.15855428 1.0
Cd Cd85 1 0.27985872 0.36248057 0.25000000 1.0
Cd Cd86 1 0.39947254 0.60052746 0.55306267 1.0
Cd Cd87 1 0.36520467 0.03581460 0.10277664 1.0
Cd Cd88 1 0.76492546 0.23507454 0.34144572 1.0
Cd Cd89 1 0.81161137 0.90580569 0.15615513 1.0
Cd Cd90 1 0.32939007 0.96418540 0.89722336 1.0
Cd Cd91 1 0.87501362 0.43750681 0.85650533 1.0
Cd Cd92 1 0.90580569 0.81161137 0.65615513 1.0
Cd Cd93 1 0.12498638 0.56249319 0.14349467 1.0
Cd Cd94 1 0.96418540 0.32939007 0.39722336 1.0
Cd Cd95 1 0.63751943 0.72014128 0.25000000 1.0
Cd Cd96 1 0.56249319 0.43750681 0.85650533 1.0
Cd Cd97 1 0.47014908 0.23507454 0.15855428 1.0
Cd Cd98 1 0.80014988 0.80014988 0.50000000 1.0
Cd Cd99 1 0.00000000 0.00000000 0.75000000 1.0
Cd Cd100 1 0.18838863 0.09419431 0.65615513 1.0
Cd Cd101 1 0.19985012 0.19985012 0.00000000 1.0
Cd Cd102 1 0.19985012 0.00000000 0.50000000 1.0
Cd Cd103 1 0.08262184 0.36248057 0.25000000 1.0
Cd Cd104 1 0.67060993 0.63479533 0.39722336 1.0
Cd Cd105 1 0.52985092 0.76492546 0.65855428 1.0
Cd Cd106 1 0.79894508 0.39947254 0.05306267 1.0
Cd Cd107 1 0.36520467 0.32939007 0.10277664 1.0
Cd Cd108 1 0.23507454 0.76492546 0.84144572 1.0
Cd Cd109 1 0.66666700 0.33333300 0.25000000 1.0
Cd Cd110 1 0.43750681 0.87501362 0.14349467 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 0.23507454 0.76492546 0.65855428 1.0
Cd Cd114 1 0.33333300 0.66666700 0.40579500 1.0
Cd Cd115 1 0.19985012 0.00000000 0.00000000 1.0
Cd Cd116 1 0.08262184 0.72014128 0.25000000 1.0
Cd Cd117 1 1.00000000 0.80014988 0.50000000 1.0
Cd Cd118 1 0.63479533 0.96418540 0.89722336 1.0
Cd Cd119 1 0.50000000 0.50000000 0.50000000 1.0
Cd Cd120 1 0.18838863 0.09419431 0.84384487 1.0
Cd Cd121 1 0.53679810 0.26839905 0.75000000 1.0
Cd Cd122 1 0.09419431 0.90580569 0.15615513 1.0
Cd Cd123 1 0.90580569 0.09419431 0.84384487 1.0
Cd Cd124 1 0.56249319 0.43750681 0.64349467 1.0
Cd Cd125 1 0.36248057 0.27985872 0.75000000 1.0
Cd Cd126 1 0.26839905 0.73160095 0.25000000 1.0
Cd Cd127 1 0.96418540 0.63479533 0.39722336 1.0
Cd Cd128 1 0.33333300 0.66666700 0.09420500 1.0
Cd Cd129 1 0.26839905 0.53679810 0.25000000 1.0
Cd Cd130 1 0.80014988 0.00000000 0.00000000 1.0
Cd Cd131 1 0.63751943 0.91737816 0.25000000 1.0
Cd Cd132 1 0.50000000 0.00000000 0.00000000 1.0
Cd Cd133 1 0.87501362 0.43750681 0.64349467 1.0
Cd Cd134 1 0.32939007 0.96418540 0.60277664 1.0
Cd Cd135 1 0.00000000 0.50000000 0.00000000 1.0
Cd Cd136 1 0.09419431 0.18838863 0.34384487 1.0
Cd Cd137 1 0.39947254 0.60052746 0.94693733 1.0
Cd Cd138 1 0.23507454 0.47014908 0.65855428 1.0
Cd Cd139 1 0.72014128 0.63751943 0.75000000 1.0
Cd Cd140 1 0.39947254 0.79894508 0.55306267 1.0
Cd Cd141 1 0.46320190 0.73160095 0.25000000 1.0