基础信息
化学式
Dy20In40Rh19
MP-ID
mp-1226356
元素数
3
位点数
79
密度
9.3575
g/cm³
体积
1,738.70
ų
晶胞参数 a
13.5737
Å
晶胞参数 b
13.5737
Å
晶胞参数 c
9.4368
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P-4m2
点群
-42m
晶体系统
Tetragonal
Bravais 格子
tP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.58984
eV/atom
能量/原子
-4.92727
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-4.9273
eV/atom
体积/原子
22.01
ų
c/a 比
0.6952
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
0.7529
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000430
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
In · 0.506
元素家族
N/A
溶质分数
0.494
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.471
家族
In-rich Multi-Component
基质元素
In · 0.506
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-1226356
参考引用
The crystal structure and related material properties of Dy20In40Rh19 were obtained from the Materials Project database (MP-ID: mp-1226356, 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_Dy20In40Rh19
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.57373600
_cell_length_b 13.57373600
_cell_length_c 9.43680400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy20In40Rh19
_chemical_formula_sum 'Dy20 In40 Rh19'
_cell_volume 1738.69630573
_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
Dy Dy0 1 0.50000000 0.00000000 0.84996700 1.0
Dy Dy1 1 0.00000000 0.50000000 0.15003300 1.0
Dy Dy2 1 0.50000000 0.00000000 0.35568400 1.0
Dy Dy3 1 0.00000000 0.50000000 0.64431600 1.0
Dy Dy4 1 0.77494200 0.00000000 0.76923400 1.0
Dy Dy5 1 0.22505800 0.00000000 0.76923400 1.0
Dy Dy6 1 0.50000000 0.72234300 0.76602600 1.0
Dy Dy7 1 0.50000000 0.27765700 0.76602600 1.0
Dy Dy8 1 0.72234300 0.50000000 0.23397400 1.0
Dy Dy9 1 0.27765700 0.50000000 0.23397400 1.0
Dy Dy10 1 0.00000000 0.77494200 0.23076600 1.0
Dy Dy11 1 0.00000000 0.22505800 0.23076600 1.0
Dy Dy12 1 0.70403500 0.79872600 0.26345100 1.0
Dy Dy13 1 0.29596500 0.79872600 0.26345100 1.0
Dy Dy14 1 0.70403500 0.20127400 0.26345100 1.0
Dy Dy15 1 0.29596500 0.20127400 0.26345100 1.0
Dy Dy16 1 0.79872600 0.70403500 0.73654900 1.0
Dy Dy17 1 0.20127400 0.70403500 0.73654900 1.0
Dy Dy18 1 0.79872600 0.29596500 0.73654900 1.0
Dy Dy19 1 0.20127400 0.29596500 0.73654900 1.0
In In20 1 0.15116400 0.15116400 0.00000000 1.0
In In21 1 0.84883600 0.15116400 0.00000000 1.0
In In22 1 0.15116400 0.84883600 0.00000000 1.0
In In23 1 0.84883600 0.84883600 0.00000000 1.0
In In24 1 0.34913400 0.34913400 0.00000000 1.0
In In25 1 0.65086600 0.34913400 0.00000000 1.0
In In26 1 0.34913400 0.65086600 0.00000000 1.0
In In27 1 0.65086600 0.65086600 0.00000000 1.0
In In28 1 0.11360400 0.00000000 0.23765100 1.0
In In29 1 0.88639600 0.00000000 0.23765100 1.0
In In30 1 0.50000000 0.38536400 0.23929800 1.0
In In31 1 0.50000000 0.61463600 0.23929800 1.0
In In32 1 0.38536400 0.50000000 0.76070200 1.0
In In33 1 0.61463600 0.50000000 0.76070200 1.0
In In34 1 0.00000000 0.11360400 0.76234900 1.0
In In35 1 0.00000000 0.88639600 0.76234900 1.0
In In36 1 0.64049400 0.64049400 0.50000000 1.0
In In37 1 0.35950600 0.64049400 0.50000000 1.0
In In38 1 0.64049400 0.35950600 0.50000000 1.0
In In39 1 0.35950600 0.35950600 0.50000000 1.0
In In40 1 0.86830100 0.86830100 0.50000000 1.0
In In41 1 0.13169900 0.86830100 0.50000000 1.0
In In42 1 0.86830100 0.13169900 0.50000000 1.0
In In43 1 0.13169900 0.13169900 0.50000000 1.0
In In44 1 0.33067600 0.00000000 0.09840400 1.0
In In45 1 0.66932400 0.00000000 0.09840400 1.0
In In46 1 0.50000000 0.16967600 0.09846300 1.0
In In47 1 0.50000000 0.83032400 0.09846300 1.0
In In48 1 0.16967600 0.50000000 0.90153700 1.0
In In49 1 0.83032400 0.50000000 0.90153700 1.0
In In50 1 0.00000000 0.33067600 0.90159600 1.0
In In51 1 0.00000000 0.66932400 0.90159600 1.0
In In52 1 0.62998000 0.87006500 0.59407800 1.0
In In53 1 0.37002000 0.87006500 0.59407800 1.0
In In54 1 0.62998000 0.12993500 0.59407800 1.0
In In55 1 0.37002000 0.12993500 0.59407800 1.0
In In56 1 0.87006500 0.62998000 0.40592200 1.0
In In57 1 0.12993500 0.62998000 0.40592200 1.0
In In58 1 0.87006500 0.37002000 0.40592200 1.0
In In59 1 0.12993500 0.37002000 0.40592200 1.0
Rh Rh60 1 0.00000000 0.00000000 0.00000000 1.0
Rh Rh61 1 0.50000000 0.50000000 0.00000000 1.0
Rh Rh62 1 0.84590800 0.65338900 0.10668900 1.0
Rh Rh63 1 0.15409200 0.65338900 0.10668900 1.0
Rh Rh64 1 0.84590800 0.34661100 0.10668900 1.0
Rh Rh65 1 0.15409200 0.34661100 0.10668900 1.0
Rh Rh66 1 0.65338900 0.84590800 0.89331100 1.0
Rh Rh67 1 0.34661100 0.84590800 0.89331100 1.0
Rh Rh68 1 0.65338900 0.15409200 0.89331100 1.0
Rh Rh69 1 0.34661100 0.15409200 0.89331100 1.0
Rh Rh70 1 0.27677700 0.00000000 0.40720000 1.0
Rh Rh71 1 0.72322300 0.00000000 0.40720000 1.0
Rh Rh72 1 0.50000000 0.22074600 0.40620500 1.0
Rh Rh73 1 0.50000000 0.77925400 0.40620500 1.0
Rh Rh74 1 0.22074600 0.50000000 0.59379500 1.0
Rh Rh75 1 0.77925400 0.50000000 0.59379500 1.0
Rh Rh76 1 0.00000000 0.27677700 0.59280000 1.0
Rh Rh77 1 0.00000000 0.72322300 0.59280000 1.0
Rh Rh78 1 0.50000000 0.50000000 0.50000000 1.0