Ga17Rh10
传统材料 TRAMP-ID: mp-30665 · 空间群: P-4c2 (#116)
基础信息
化学式
Ga17Rh10
MP-ID
mp-30665
元素数
2
位点数
108
密度
8.8199
g/cm³
体积
1,667.59
ų
晶胞参数 a
5.8799
Å
晶胞参数 b
5.8799
Å
晶胞参数 c
48.2339
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P-4c2
点群
-42m
晶体系统
Tetragonal
Bravais 格子
tP
稳定性
Yes
堆积分数
-
X 射线衍射
衍射图谱
横轴为 2θ (°)，纵轴为相对强度，Cu Kα ， λ=1.5418 Å
衍射峰（Top 24）
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.86 | 3.7292 | 22.1 | (1,0,10) |
| 30.40 | 2.9399 | 4.1 | (2,0,0) |
| 36.58 | 2.4568 | 42.6 | (2,1,7) |
| 38.41 | 2.3436 | 47.8 | (1,1,17) |
| 39.01 | 2.3088 | 100.0 | (2,1,10) |
| 40.33 | 2.2364 | 1.9 | (2,0,14) |
| 43.37 | 2.0861 | 48.7 | (1,1,20) |
| 43.53 | 2.0789 | 35.8 | (2,2,0) |
| 43.92 | 2.0617 | 6.5 | (2,2,3) |
| 47.83 | 1.9017 | 5.7 | (1,0,24) |
| 49.34 | 1.8471 | 5.0 | (3,1,3) |
| 50.25 | 1.8158 | 49.2 | (3,0,10) |
| 56.22 | 1.6363 | 4.1 | (3,1,14) |
| 57.74 | 1.5968 | 1.2 | (2,1,24) |
| 58.13 | 1.5870 | 3.0 | (3,2,7) |
| 59.43 | 1.5552 | 1.2 | (3,1,17) |
| 59.62 | 1.5509 | 5.9 | (1,0,30) |
| 59.87 | 1.5449 | 1.1 | (3,2,10) |
| 62.18 | 1.4929 | 1.1 | (3,2,13) |
| 62.89 | 1.4777 | 8.4 | (2,1,27) |
| 63.14 | 1.4725 | 11.6 | (3,1,20) |
| 63.26 | 1.4700 | 4.1 | (4,0,0) |
| 65.83 | 1.4186 | 2.7 | (0,0,34) |
| 66.65 | 1.4032 | 3.7 | (3,0,24) |
能量属性
形成能/原子
-0.59849
eV/atom
能量/原子
-5.23259
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-5.2326
eV/atom
体积/原子
15.44
ų
c/a 比
8.2032
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
0.0060
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
Ga · 0.630
元素家族
N/A
溶质分数
0.370
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.682
家族
Binary Alloy
基质元素
Ga · 0.630
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-30665
参考引用
The crystal structure and related material properties of Ga17Rh10 were obtained from the Materials Project database (MP-ID: mp-30665, 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_Ga17Rh10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87987600
_cell_length_b 5.87987600
_cell_length_c 48.23391200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga17Rh10
_chemical_formula_sum 'Ga68 Rh40'
_cell_volume 1667.58823117
_cell_formula_units_Z 4
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
Ga Ga0 1 0.17166800 0.17166800 0.25000000 1.0
Ga Ga1 1 0.17166800 0.82833200 0.75000000 1.0
Ga Ga2 1 0.82833200 0.17166800 0.75000000 1.0
Ga Ga3 1 0.82833200 0.82833200 0.25000000 1.0
Ga Ga4 1 0.34709900 0.23306900 0.01515900 1.0
Ga Ga5 1 0.23306900 0.65290100 0.98484100 1.0
Ga Ga6 1 0.76693100 0.34709900 0.98484100 1.0
Ga Ga7 1 0.65290100 0.76693100 0.01515900 1.0
Ga Ga8 1 0.23306900 0.34709900 0.48484100 1.0
Ga Ga9 1 0.76693100 0.65290100 0.48484100 1.0
Ga Ga10 1 0.65290100 0.23306900 0.51515900 1.0
Ga Ga11 1 0.34709900 0.76693100 0.51515900 1.0
Ga Ga12 1 0.79890400 0.15627200 0.04498900 1.0
Ga Ga13 1 0.15627200 0.20109600 0.95501100 1.0
Ga Ga14 1 0.84372800 0.79890400 0.95501100 1.0
Ga Ga15 1 0.20109600 0.84372800 0.04498900 1.0
Ga Ga16 1 0.15627200 0.79890400 0.45501100 1.0
Ga Ga17 1 0.84372800 0.20109600 0.45501100 1.0
Ga Ga18 1 0.20109600 0.15627200 0.54498900 1.0
Ga Ga19 1 0.79890400 0.84372800 0.54498900 1.0
Ga Ga20 1 0.16693500 0.32271600 0.07378200 1.0
Ga Ga21 1 0.32271600 0.83306500 0.92621800 1.0
Ga Ga22 1 0.67728400 0.16693500 0.92621800 1.0
Ga Ga23 1 0.83306500 0.67728400 0.07378200 1.0
Ga Ga24 1 0.32271600 0.16693500 0.42621800 1.0
Ga Ga25 1 0.67728400 0.83306500 0.42621800 1.0
Ga Ga26 1 0.83306500 0.32271600 0.57378200 1.0
Ga Ga27 1 0.16693500 0.67728400 0.57378200 1.0
Ga Ga28 1 0.66256500 0.31547900 0.10252500 1.0
Ga Ga29 1 0.31547900 0.33743500 0.89747500 1.0
Ga Ga30 1 0.68452100 0.66256500 0.89747500 1.0
Ga Ga31 1 0.33743500 0.68452100 0.10252500 1.0
Ga Ga32 1 0.31547900 0.66256500 0.39747500 1.0
Ga Ga33 1 0.68452100 0.33743500 0.39747500 1.0
Ga Ga34 1 0.33743500 0.31547900 0.60252500 1.0
Ga Ga35 1 0.66256500 0.68452100 0.60252500 1.0
Ga Ga36 1 0.28867100 0.15441000 0.13154100 1.0
Ga Ga37 1 0.15441000 0.71132900 0.86845900 1.0
Ga Ga38 1 0.84559000 0.28867100 0.86845900 1.0
Ga Ga39 1 0.71132900 0.84559000 0.13154100 1.0
Ga Ga40 1 0.15441000 0.28867100 0.36845900 1.0
Ga Ga41 1 0.84559000 0.71132900 0.36845900 1.0
Ga Ga42 1 0.71132900 0.15441000 0.63154100 1.0
Ga Ga43 1 0.28867100 0.84559000 0.63154100 1.0
Ga Ga44 1 0.84772900 0.24466600 0.16163400 1.0
Ga Ga45 1 0.24466600 0.15227100 0.83836600 1.0
Ga Ga46 1 0.75533400 0.84772900 0.83836600 1.0
Ga Ga47 1 0.15227100 0.75533400 0.16163400 1.0
Ga Ga48 1 0.24466600 0.84772900 0.33836600 1.0
Ga Ga49 1 0.75533400 0.15227100 0.33836600 1.0
Ga Ga50 1 0.15227100 0.24466600 0.66163400 1.0
Ga Ga51 1 0.84772900 0.75533400 0.66163400 1.0
Ga Ga52 1 0.27861500 0.34648900 0.19197200 1.0
Ga Ga53 1 0.34648900 0.72138500 0.80802800 1.0
Ga Ga54 1 0.65351100 0.27861500 0.80802800 1.0
Ga Ga55 1 0.72138500 0.65351100 0.19197200 1.0
Ga Ga56 1 0.34648900 0.27861500 0.30802800 1.0
Ga Ga57 1 0.65351100 0.72138500 0.30802800 1.0
Ga Ga58 1 0.72138500 0.34648900 0.69197200 1.0
Ga Ga59 1 0.27861500 0.65351100 0.69197200 1.0
Ga Ga60 1 0.65924900 0.19203900 0.22130100 1.0
Ga Ga61 1 0.19203900 0.34075100 0.77869900 1.0
Ga Ga62 1 0.80796100 0.65924900 0.77869900 1.0
Ga Ga63 1 0.34075100 0.80796100 0.22130100 1.0
Ga Ga64 1 0.19203900 0.65924900 0.27869900 1.0
Ga Ga65 1 0.80796100 0.34075100 0.27869900 1.0
Ga Ga66 1 0.34075100 0.19203900 0.72130100 1.0
Ga Ga67 1 0.65924900 0.80796100 0.72130100 1.0
Rh Rh68 1 0.50000000 0.50000000 0.25000000 1.0
Rh Rh69 1 0.50000000 0.50000000 0.75000000 1.0
Rh Rh70 1 0.00000000 0.00000000 0.00000000 1.0
Rh Rh71 1 0.00000000 0.00000000 0.50000000 1.0
Rh Rh72 1 0.00000000 0.00000000 0.09874200 1.0
Rh Rh73 1 0.00000000 0.00000000 0.90125800 1.0
Rh Rh74 1 0.00000000 0.00000000 0.40125800 1.0
Rh Rh75 1 0.00000000 0.00000000 0.59874200 1.0
Rh Rh76 1 0.00000000 0.00000000 0.20125500 1.0
Rh Rh77 1 0.00000000 0.00000000 0.79874500 1.0
Rh Rh78 1 0.00000000 0.00000000 0.29874500 1.0
Rh Rh79 1 0.00000000 0.00000000 0.70125500 1.0
Rh Rh80 1 0.50000000 0.50000000 0.05158700 1.0
Rh Rh81 1 0.50000000 0.50000000 0.94841300 1.0
Rh Rh82 1 0.50000000 0.50000000 0.44841300 1.0
Rh Rh83 1 0.50000000 0.50000000 0.55158700 1.0
Rh Rh84 1 0.50000000 0.50000000 0.14940500 1.0
Rh Rh85 1 0.50000000 0.50000000 0.85059500 1.0
Rh Rh86 1 0.50000000 0.50000000 0.35059500 1.0
Rh Rh87 1 0.50000000 0.50000000 0.64940500 1.0
Rh Rh88 1 0.00000000 0.50000000 0.02597400 1.0
Rh Rh89 1 0.50000000 0.00000000 0.97402600 1.0
Rh Rh90 1 0.50000000 0.00000000 0.47402600 1.0
Rh Rh91 1 0.00000000 0.50000000 0.52597400 1.0
Rh Rh92 1 0.00000000 0.50000000 0.12350900 1.0
Rh Rh93 1 0.50000000 0.00000000 0.87649100 1.0
Rh Rh94 1 0.50000000 0.00000000 0.37649100 1.0
Rh Rh95 1 0.00000000 0.50000000 0.62350900 1.0
Rh Rh96 1 0.00000000 0.50000000 0.22655700 1.0
Rh Rh97 1 0.50000000 0.00000000 0.77344300 1.0
Rh Rh98 1 0.50000000 0.00000000 0.27344300 1.0
Rh Rh99 1 0.00000000 0.50000000 0.72655700 1.0
Rh Rh100 1 0.00000000 0.50000000 0.32469300 1.0
Rh Rh101 1 0.50000000 0.00000000 0.67530700 1.0
Rh Rh102 1 0.50000000 0.00000000 0.17530700 1.0
Rh Rh103 1 0.00000000 0.50000000 0.82469300 1.0
Rh Rh104 1 0.00000000 0.50000000 0.42427200 1.0
Rh Rh105 1 0.50000000 0.00000000 0.57572800 1.0
Rh Rh106 1 0.50000000 0.00000000 0.07572800 1.0
Rh Rh107 1 0.00000000 0.50000000 0.92427200 1.0
