Ge22Rh17
传统材料 TRAMP-ID: mp-1203373 · 空间群: I-42d (#122)
基础信息
化学式
Ge22Rh17
MP-ID
mp-1203373
元素数
2
位点数
78
密度
8.9126
g/cm³
体积
1,247.37
ų
晶胞参数 a
5.6293
Å
晶胞参数 b
5.6293
Å
晶胞参数 c
39.5634
Å
α 角
94.08
°
β 角
94.08
°
γ 角
90.00
°
空间群
I-42d
点群
-42m
晶体系统
Tetragonal
Bravais 格子
tI
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.47860
eV/atom
能量/原子
-18.82474
eV/atom
凸包距离
0.0111
eV/atom
未修正能量
-18.8247
eV/atom
体积/原子
15.99
ų
c/a 比
7.0281
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
Ge · 0.564
元素家族
N/A
溶质分数
0.436
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.642
家族
Binary Alloy
基质元素
Ge · 0.564
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-1203373
参考引用
The crystal structure and related material properties of Ge22Rh17 were obtained from the Materials Project database (MP-ID: mp-1203373, 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_Ge22Rh17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62930905
_cell_length_b 5.62930905
_cell_length_c 39.56335106
_cell_angle_alpha 94.07963793
_cell_angle_beta 94.07963793
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge22Rh17
_chemical_formula_sum 'Ge44 Rh34'
_cell_volume 1247.36613503
_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
Ge Ge0 1 0.06107857 0.41955384 0.52570745 1.0
Ge Ge1 1 0.18892143 0.64384639 0.97429255 1.0
Ge Ge2 1 0.46462887 0.10615361 0.52570745 1.0
Ge Ge3 1 0.78537113 0.33044616 0.97429255 1.0
Ge Ge4 1 0.58044616 0.53537113 0.47429255 1.0
Ge Ge5 1 0.66955384 0.81107857 0.02570745 1.0
Ge Ge6 1 0.89384639 0.93892143 0.47429255 1.0
Ge Ge7 1 0.35615361 0.21462887 0.02570745 1.0
Ge Ge8 1 0.07240310 0.93511266 0.56432025 1.0
Ge Ge9 1 0.17759690 0.12079241 0.93567975 1.0
Ge Ge10 1 0.49191716 0.62920759 0.56432025 1.0
Ge Ge11 1 0.75808284 0.81488734 0.93567975 1.0
Ge Ge12 1 0.06488734 0.50808284 0.43567975 1.0
Ge Ge13 1 0.18511266 0.82240310 0.06432025 1.0
Ge Ge14 1 0.37079241 0.92759690 0.43567975 1.0
Ge Ge15 1 0.87920759 0.24191716 0.06432025 1.0
Ge Ge16 1 0.97068570 0.50029238 0.61546486 1.0
Ge Ge17 1 0.27931430 0.63482753 0.88453514 1.0
Ge Ge18 1 0.64477916 0.11517247 0.61546486 1.0
Ge Ge19 1 0.60522084 0.24970762 0.88453514 1.0
Ge Ge20 1 0.49970762 0.35522084 0.38453514 1.0
Ge Ge21 1 0.75029238 0.72068570 0.11546486 1.0
Ge Ge22 1 0.88482753 0.02931430 0.38453514 1.0
Ge Ge23 1 0.36517247 0.39477916 0.11546486 1.0
Ge Ge24 1 0.17855272 0.10299548 0.65604934 1.0
Ge Ge25 1 0.07144728 0.19694613 0.84395066 1.0
Ge Ge26 1 0.47749662 0.55305387 0.65604934 1.0
Ge Ge27 1 0.77250338 0.64700452 0.84395066 1.0
Ge Ge28 1 0.89700452 0.52250338 0.34395066 1.0
Ge Ge29 1 0.35299548 0.92855272 0.15604934 1.0
Ge Ge30 1 0.44694613 0.82144728 0.34395066 1.0
Ge Ge31 1 0.80305387 0.22749662 0.15604934 1.0
Ge Ge32 1 0.03457923 0.68034886 0.70514267 1.0
Ge Ge33 1 0.21542077 0.72520618 0.79485733 1.0
Ge Ge34 1 0.67056345 0.02479382 0.70514267 1.0
Ge Ge35 1 0.57943655 0.06965114 0.79485733 1.0
Ge Ge36 1 0.31965114 0.32943655 0.29485733 1.0
Ge Ge37 1 0.93034886 0.78457923 0.20514267 1.0
Ge Ge38 1 0.97520618 0.96542077 0.29485733 1.0
Ge Ge39 1 0.27479382 0.42056345 0.20514267 1.0
Ge Ge40 1 0.12500000 0.22655353 0.75000000 1.0
Ge Ge41 1 0.62500000 0.52344647 0.75000000 1.0
Ge Ge42 1 0.77344647 0.37500000 0.25000000 1.0
Ge Ge43 1 0.47655353 0.87500000 0.25000000 1.0
Rh Rh44 1 0.30735847 0.80735847 0.61471696 1.0
Rh Rh45 1 0.94264153 0.94264153 0.88528304 1.0
Rh Rh46 1 0.19264153 0.69264153 0.38528304 1.0
Rh Rh47 1 0.05735847 0.05735847 0.11471696 1.0
Rh Rh48 1 0.36998032 0.86998032 0.73996064 1.0
Rh Rh49 1 0.88001968 0.88001968 0.76003936 1.0
Rh Rh50 1 0.13001968 0.63001968 0.26003936 1.0
Rh Rh51 1 0.11998032 0.11998032 0.23996064 1.0
Rh Rh52 1 0.42404312 0.92404312 0.84808623 1.0
Rh Rh53 1 0.82595688 0.82595688 0.65191377 1.0
Rh Rh54 1 0.07595688 0.57595688 0.15191377 1.0
Rh Rh55 1 0.17404312 0.17404312 0.34808623 1.0
Rh Rh56 1 0.48731234 0.98731234 0.97462467 1.0
Rh Rh57 1 0.76268766 0.76268766 0.52537533 1.0
Rh Rh58 1 0.01268766 0.51268766 0.02537533 1.0
Rh Rh59 1 0.23731234 0.23731234 0.47462467 1.0
Rh Rh60 1 0.54321741 0.04321741 0.08643483 1.0
Rh Rh61 1 0.70678259 0.70678259 0.41356517 1.0
Rh Rh62 1 0.95678259 0.45678259 0.91356517 1.0
Rh Rh63 1 0.29321741 0.29321741 0.58643483 1.0
Rh Rh64 1 0.60241901 0.10241901 0.20483800 1.0
Rh Rh65 1 0.64758099 0.64758099 0.29516200 1.0
Rh Rh66 1 0.89758099 0.39758099 0.79516200 1.0
Rh Rh67 1 0.35241901 0.35241901 0.70483800 1.0
Rh Rh68 1 0.66361413 0.16361413 0.32722826 1.0
Rh Rh69 1 0.58638587 0.58638587 0.17277174 1.0
Rh Rh70 1 0.83638587 0.33638587 0.67277174 1.0
Rh Rh71 1 0.41361413 0.41361413 0.82722826 1.0
Rh Rh72 1 0.71829313 0.21829313 0.43658626 1.0
Rh Rh73 1 0.53170687 0.53170687 0.06341374 1.0
Rh Rh74 1 0.78170687 0.28170687 0.56341374 1.0
Rh Rh75 1 0.46829313 0.46829313 0.93658626 1.0
Rh Rh76 1 0.25000000 0.75000000 0.50000000 1.0
Rh Rh77 1 0.00000000 -0.00000000 -0.00000000 1.0