Y13Cd58
传统材料 TRAMP-ID: mp-582709 · 空间群: P6_3/mmc (#194)
基础信息
化学式
Y13Cd58
MP-ID
mp-582709
元素数
2
位点数
142
密度
7.5829
g/cm³
体积
3,361.70
ų
晶胞参数 a
15.7907
Å
晶胞参数 b
15.7907
Å
晶胞参数 c
15.5677
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
-0.16425
eV/atom
能量/原子
-2.14029
eV/atom
凸包距离
0.0257
eV/atom
未修正能量
-2.1403
eV/atom
体积/原子
23.67
ų
c/a 比
0.9859
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
0.0367
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
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
0.701
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-582709
参考引用
The crystal structure and related material properties of Y13Cd58 were obtained from the Materials Project database (MP-ID: mp-582709, 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_Y13Cd58
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.79073195
_cell_length_b 15.79073195
_cell_length_c 15.56765400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999980
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y13Cd58
_chemical_formula_sum 'Y26 Cd116'
_cell_volume 3361.69513791
_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
Y Y0 1 0.41214800 0.20607400 0.55280900 1.0
Y Y1 1 0.87133800 0.74267600 0.25000000 1.0
Y Y2 1 0.20607400 0.41214800 0.05280900 1.0
Y Y3 1 0.08883400 0.54441700 0.75000000 1.0
Y Y4 1 0.79392600 0.58785200 0.94719100 1.0
Y Y5 1 0.79392600 0.20607400 0.55280900 1.0
Y Y6 1 0.91116600 0.45558300 0.25000000 1.0
Y Y7 1 0.79392600 0.20607400 0.94719100 1.0
Y Y8 1 0.79392600 0.58785200 0.55280900 1.0
Y Y9 1 0.45558300 0.91116600 0.75000000 1.0
Y Y10 1 0.12866200 0.87133800 0.75000000 1.0
Y Y11 1 0.87133800 0.12866200 0.25000000 1.0
Y Y12 1 0.58785200 0.79392600 0.05280900 1.0
Y Y13 1 0.58785200 0.79392600 0.44719100 1.0
Y Y14 1 0.20607400 0.79392600 0.44719100 1.0
Y Y15 1 0.00000000 0.00000000 0.00000000 1.0
Y Y16 1 0.45558300 0.54441700 0.75000000 1.0
Y Y17 1 0.54441700 0.08883400 0.25000000 1.0
Y Y18 1 0.12866200 0.25732400 0.75000000 1.0
Y Y19 1 0.74267600 0.87133800 0.75000000 1.0
Y Y20 1 0.20607400 0.41214800 0.44719100 1.0
Y Y21 1 0.41214800 0.20607400 0.94719100 1.0
Y Y22 1 0.00000000 0.00000000 0.50000000 1.0
Y Y23 1 0.25732400 0.12866200 0.25000000 1.0
Y Y24 1 0.20607400 0.79392600 0.05280900 1.0
Y Y25 1 0.54441700 0.45558300 0.25000000 1.0
Cd Cd26 1 0.90785700 0.09214300 0.65576900 1.0
Cd Cd27 1 0.00000000 0.19746600 0.00000000 1.0
Cd Cd28 1 0.63544400 0.96411800 0.60153700 1.0
Cd Cd29 1 0.36455600 0.32867400 0.39846300 1.0
Cd Cd30 1 0.67132600 0.63544400 0.10153700 1.0
Cd Cd31 1 0.60031800 0.39968200 0.05147700 1.0
Cd Cd32 1 0.63544400 0.67132600 0.89846300 1.0
Cd Cd33 1 0.96411800 0.63544400 0.10153700 1.0
Cd Cd34 1 0.20063600 0.60031800 0.94852300 1.0
Cd Cd35 1 0.09214300 0.90785700 0.34423100 1.0
Cd Cd36 1 0.55967400 0.11934800 0.64741800 1.0
Cd Cd37 1 0.81571500 0.90785700 0.34423100 1.0
Cd Cd38 1 0.73372500 0.26627500 0.75000000 1.0
Cd Cd39 1 0.44032600 0.88065200 0.35258200 1.0
Cd Cd40 1 0.32867400 0.36455600 0.89846300 1.0
Cd Cd41 1 0.03588200 0.67132600 0.89846300 1.0
Cd Cd42 1 0.53174000 0.76587000 0.84146000 1.0
Cd Cd43 1 0.80253400 0.80253400 0.00000000 1.0
Cd Cd44 1 0.36455600 0.03588200 0.39846300 1.0
Cd Cd45 1 0.00000000 0.19746600 0.50000000 1.0
Cd Cd46 1 0.92013200 0.64495000 0.75000000 1.0
Cd Cd47 1 0.19746600 0.19746600 0.50000000 1.0
Cd Cd48 1 0.67132600 0.03588200 0.10153700 1.0
Cd Cd49 1 0.60031800 0.39968200 0.44852300 1.0
Cd Cd50 1 0.76587000 0.53174000 0.34146000 1.0
Cd Cd51 1 0.76587000 0.53174000 0.15854000 1.0
Cd Cd52 1 0.96411800 0.32867400 0.10153700 1.0
Cd Cd53 1 0.66666700 0.33333300 0.59672100 1.0
Cd Cd54 1 0.27518200 0.92013200 0.25000000 1.0
Cd Cd55 1 0.46826000 0.23413000 0.34146000 1.0
Cd Cd56 1 0.03588200 0.36455600 0.60153700 1.0
Cd Cd57 1 0.33333300 0.66666700 0.75000000 1.0
Cd Cd58 1 0.72481800 0.07986800 0.75000000 1.0
Cd Cd59 1 0.03588200 0.36455600 0.89846300 1.0
Cd Cd60 1 0.80253400 0.00000000 0.50000000 1.0
Cd Cd61 1 0.60031800 0.20063600 0.44852300 1.0
Cd Cd62 1 0.67132600 0.03588200 0.39846300 1.0
Cd Cd63 1 0.35505000 0.07986800 0.75000000 1.0
Cd Cd64 1 0.92013200 0.27518200 0.75000000 1.0
Cd Cd65 1 0.00000000 0.80253400 0.00000000 1.0
Cd Cd66 1 0.44032600 0.55967400 0.14741800 1.0
Cd Cd67 1 0.11934800 0.55967400 0.35258200 1.0
Cd Cd68 1 0.50000000 0.00000000 0.50000000 1.0
Cd Cd69 1 0.90785700 0.81571500 0.84423100 1.0
Cd Cd70 1 0.09214300 0.18428500 0.15576900 1.0
Cd Cd71 1 0.03588200 0.67132600 0.60153700 1.0
Cd Cd72 1 0.32867400 0.36455600 0.60153700 1.0
Cd Cd73 1 0.55967400 0.11934800 0.85258200 1.0
Cd Cd74 1 0.20063600 0.60031800 0.55147700 1.0
Cd Cd75 1 0.63544400 0.67132600 0.60153700 1.0
Cd Cd76 1 0.44032600 0.55967400 0.35258200 1.0
Cd Cd77 1 0.00000000 0.00000000 0.25000000 1.0
Cd Cd78 1 0.60031800 0.20063600 0.05147700 1.0
Cd Cd79 1 0.79936400 0.39968200 0.44852300 1.0
Cd Cd80 1 0.73372500 0.46745000 0.75000000 1.0
Cd Cd81 1 0.39968200 0.79936400 0.94852300 1.0
Cd Cd82 1 0.66666700 0.33333300 0.90327900 1.0
Cd Cd83 1 0.23413000 0.46826000 0.84146000 1.0
Cd Cd84 1 0.76587000 0.23413000 0.15854000 1.0
Cd Cd85 1 0.27518200 0.35505000 0.25000000 1.0
Cd Cd86 1 0.39968200 0.60031800 0.55147700 1.0
Cd Cd87 1 0.36455600 0.03588200 0.10153700 1.0
Cd Cd88 1 0.76587000 0.23413000 0.34146000 1.0
Cd Cd89 1 0.81571500 0.90785700 0.15576900 1.0
Cd Cd90 1 0.32867400 0.96411800 0.89846300 1.0
Cd Cd91 1 0.88065200 0.44032600 0.85258200 1.0
Cd Cd92 1 0.90785700 0.81571500 0.65576900 1.0
Cd Cd93 1 0.11934800 0.55967400 0.14741800 1.0
Cd Cd94 1 0.96411800 0.32867400 0.39846300 1.0
Cd Cd95 1 0.64495000 0.72481800 0.25000000 1.0
Cd Cd96 1 0.55967400 0.44032600 0.85258200 1.0
Cd Cd97 1 0.46826000 0.23413000 0.15854000 1.0
Cd Cd98 1 0.80253400 0.80253400 0.50000000 1.0
Cd Cd99 1 0.00000000 0.00000000 0.75000000 1.0
Cd Cd100 1 0.18428500 0.09214300 0.65576900 1.0
Cd Cd101 1 0.19746600 0.19746600 0.00000000 1.0
Cd Cd102 1 0.19746600 0.00000000 0.50000000 1.0
Cd Cd103 1 0.07986800 0.35505000 0.25000000 1.0
Cd Cd104 1 0.67132600 0.63544400 0.39846300 1.0
Cd Cd105 1 0.53174000 0.76587000 0.65854000 1.0
Cd Cd106 1 0.79936400 0.39968200 0.05147700 1.0
Cd Cd107 1 0.36455600 0.32867400 0.10153700 1.0
Cd Cd108 1 0.23413000 0.76587000 0.84146000 1.0
Cd Cd109 1 0.66666700 0.33333300 0.25000000 1.0
Cd Cd110 1 0.44032600 0.88065200 0.14741800 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 0.23413000 0.76587000 0.65854000 1.0
Cd Cd114 1 0.33333300 0.66666700 0.40327900 1.0
Cd Cd115 1 0.19746600 0.00000000 0.00000000 1.0
Cd Cd116 1 0.07986800 0.72481800 0.25000000 1.0
Cd Cd117 1 0.00000000 0.80253400 0.50000000 1.0
Cd Cd118 1 0.63544400 0.96411800 0.89846300 1.0
Cd Cd119 1 0.50000000 0.50000000 0.50000000 1.0
Cd Cd120 1 0.18428500 0.09214300 0.84423100 1.0
Cd Cd121 1 0.53255000 0.26627500 0.75000000 1.0
Cd Cd122 1 0.09214300 0.90785700 0.15576900 1.0
Cd Cd123 1 0.90785700 0.09214300 0.84423100 1.0
Cd Cd124 1 0.55967400 0.44032600 0.64741800 1.0
Cd Cd125 1 0.35505000 0.27518200 0.75000000 1.0
Cd Cd126 1 0.26627500 0.73372500 0.25000000 1.0
Cd Cd127 1 0.96411800 0.63544400 0.39846300 1.0
Cd Cd128 1 0.33333300 0.66666700 0.09672100 1.0
Cd Cd129 1 0.26627500 0.53255000 0.25000000 1.0
Cd Cd130 1 0.80253400 0.00000000 0.00000000 1.0
Cd Cd131 1 0.64495000 0.92013200 0.25000000 1.0
Cd Cd132 1 0.50000000 0.00000000 0.00000000 1.0
Cd Cd133 1 0.88065200 0.44032600 0.64741800 1.0
Cd Cd134 1 0.32867400 0.96411800 0.60153700 1.0
Cd Cd135 1 0.00000000 0.50000000 0.00000000 1.0
Cd Cd136 1 0.09214300 0.18428500 0.34423100 1.0
Cd Cd137 1 0.39968200 0.60031800 0.94852300 1.0
Cd Cd138 1 0.23413000 0.46826000 0.65854000 1.0
Cd Cd139 1 0.72481800 0.64495000 0.75000000 1.0
Cd Cd140 1 0.39968200 0.79936400 0.55147700 1.0
Cd Cd141 1 0.46745000 0.73372500 0.25000000 1.0