Hf21Re25
传统材料 TRAMP-ID: mp-1203605 · 空间群: R-3c (#167)
基础信息
化学式
Hf21Re25
MP-ID
mp-1203605
元素数
2
位点数
92
密度
16.6256
g/cm³
体积
1,678.65
ų
晶胞参数 a
15.1770
Å
晶胞参数 b
15.1770
Å
晶胞参数 c
15.1770
Å
α 角
116.41
°
β 角
116.41
°
γ 角
116.41
°
空间群
R-3c
点群
-3m
晶体系统
Trigonal
Bravais 格子
hR
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.40933
eV/atom
能量/原子
-11.72028
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-11.7203
eV/atom
体积/原子
18.25
ų
c/a 比
1.0000
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
0.0152
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
Re · 0.543
元素家族
N/A
溶质分数
0.457
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.641
家族
Binary Alloy
基质元素
Re · 0.543
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-1203605
参考引用
The crystal structure and related material properties of Hf21Re25 were obtained from the Materials Project database (MP-ID: mp-1203605, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Hf21Re25
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.17703248
_cell_length_b 15.17703248
_cell_length_c 15.17703191
_cell_angle_alpha 116.40865620
_cell_angle_beta 116.40865620
_cell_angle_gamma 116.40865467
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf21Re25
_chemical_formula_sum 'Hf42 Re50'
_cell_volume 1678.64952347
_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
Hf Hf0 1 0.05463400 0.44536600 0.75000000 1.0
Hf Hf1 1 0.75000000 0.05463400 0.44536600 1.0
Hf Hf2 1 0.44536600 0.75000000 0.05463400 1.0
Hf Hf3 1 0.25000000 0.94536600 0.55463400 1.0
Hf Hf4 1 0.55463400 0.25000000 0.94536600 1.0
Hf Hf5 1 0.94536600 0.55463400 0.25000000 1.0
Hf Hf6 1 0.95322100 0.72695600 0.18611900 1.0
Hf Hf7 1 0.18611900 0.95322100 0.72695600 1.0
Hf Hf8 1 0.72695600 0.18611900 0.95322100 1.0
Hf Hf9 1 0.68611900 0.22695600 0.45322100 1.0
Hf Hf10 1 0.45322100 0.68611900 0.22695600 1.0
Hf Hf11 1 0.22695600 0.45322100 0.68611900 1.0
Hf Hf12 1 0.04677900 0.27304400 0.81388100 1.0
Hf Hf13 1 0.81388100 0.04677900 0.27304400 1.0
Hf Hf14 1 0.27304400 0.81388100 0.04677900 1.0
Hf Hf15 1 0.31388100 0.77304400 0.54677900 1.0
Hf Hf16 1 0.54677900 0.31388100 0.77304400 1.0
Hf Hf17 1 0.77304400 0.54677900 0.31388100 1.0
Hf Hf18 1 0.81864400 0.93401400 0.04950600 1.0
Hf Hf19 1 0.04950600 0.81864400 0.93401400 1.0
Hf Hf20 1 0.93401400 0.04950600 0.81864400 1.0
Hf Hf21 1 0.54950600 0.43401400 0.31864400 1.0
Hf Hf22 1 0.31864400 0.54950600 0.43401400 1.0
Hf Hf23 1 0.43401400 0.31864400 0.54950600 1.0
Hf Hf24 1 0.18135600 0.06598600 0.95049400 1.0
Hf Hf25 1 0.95049400 0.18135600 0.06598600 1.0
Hf Hf26 1 0.06598600 0.95049400 0.18135600 1.0
Hf Hf27 1 0.45049400 0.56598600 0.68135600 1.0
Hf Hf28 1 0.68135600 0.45049400 0.56598600 1.0
Hf Hf29 1 0.56598600 0.68135600 0.45049400 1.0
Hf Hf30 1 0.43916600 0.95741700 0.86210300 1.0
Hf Hf31 1 0.86210300 0.43916600 0.95741700 1.0
Hf Hf32 1 0.95741700 0.86210300 0.43916600 1.0
Hf Hf33 1 0.36210300 0.45741700 0.93916600 1.0
Hf Hf34 1 0.93916600 0.36210300 0.45741700 1.0
Hf Hf35 1 0.45741700 0.93916600 0.36210300 1.0
Hf Hf36 1 0.56083400 0.04258300 0.13789700 1.0
Hf Hf37 1 0.13789700 0.56083400 0.04258300 1.0
Hf Hf38 1 0.04258300 0.13789700 0.56083400 1.0
Hf Hf39 1 0.63789700 0.54258300 0.06083400 1.0
Hf Hf40 1 0.06083400 0.63789700 0.54258300 1.0
Hf Hf41 1 0.54258300 0.06083400 0.63789700 1.0
Re Re42 1 0.00000000 0.00000000 0.00000000 1.0
Re Re43 1 0.50000000 0.50000000 0.50000000 1.0
Re Re44 1 0.68862900 0.81137100 0.75000000 1.0
Re Re45 1 0.75000000 0.68862900 0.81137100 1.0
Re Re46 1 0.81137100 0.75000000 0.68862900 1.0
Re Re47 1 0.25000000 0.31137100 0.18862900 1.0
Re Re48 1 0.18862900 0.25000000 0.31137100 1.0
Re Re49 1 0.31137100 0.18862900 0.25000000 1.0
Re Re50 1 0.30626200 0.19373800 0.75000000 1.0
Re Re51 1 0.75000000 0.30626200 0.19373800 1.0
Re Re52 1 0.19373800 0.75000000 0.30626200 1.0
Re Re53 1 0.25000000 0.69373800 0.80626200 1.0
Re Re54 1 0.80626200 0.25000000 0.69373800 1.0
Re Re55 1 0.69373800 0.80626200 0.25000000 1.0
Re Re56 1 0.69363100 0.63177000 0.93006800 1.0
Re Re57 1 0.93006800 0.69363100 0.63177000 1.0
Re Re58 1 0.63177000 0.93006800 0.69363100 1.0
Re Re59 1 0.43006800 0.13177000 0.19363100 1.0
Re Re60 1 0.19363100 0.43006800 0.13177000 1.0
Re Re61 1 0.13177000 0.19363100 0.43006800 1.0
Re Re62 1 0.30636900 0.36823000 0.06993200 1.0
Re Re63 1 0.06993200 0.30636900 0.36823000 1.0
Re Re64 1 0.36823000 0.06993200 0.30636900 1.0
Re Re65 1 0.56993200 0.86823000 0.80636900 1.0
Re Re66 1 0.80636900 0.56993200 0.86823000 1.0
Re Re67 1 0.86823000 0.80636900 0.56993200 1.0
Re Re68 1 0.51943600 0.81183900 0.92946600 1.0
Re Re69 1 0.92946600 0.51943600 0.81183900 1.0
Re Re70 1 0.81183900 0.92946600 0.51943600 1.0
Re Re71 1 0.42946600 0.31183900 0.01943600 1.0
Re Re72 1 0.01943600 0.42946600 0.31183900 1.0
Re Re73 1 0.31183900 0.01943600 0.42946600 1.0
Re Re74 1 0.48056400 0.18816100 0.07053400 1.0
Re Re75 1 0.07053400 0.48056400 0.18816100 1.0
Re Re76 1 0.18816100 0.07053400 0.48056400 1.0
Re Re77 1 0.57053400 0.68816100 0.98056400 1.0
Re Re78 1 0.98056400 0.57053400 0.68816100 1.0
Re Re79 1 0.68816100 0.98056400 0.57053400 1.0
Re Re80 1 0.76456300 0.11918500 0.11638900 1.0
Re Re81 1 0.11638900 0.76456300 0.11918500 1.0
Re Re82 1 0.11918500 0.11638900 0.76456300 1.0
Re Re83 1 0.61638900 0.61918500 0.26456300 1.0
Re Re84 1 0.26456300 0.61638900 0.61918500 1.0
Re Re85 1 0.61918500 0.26456300 0.61638900 1.0
Re Re86 1 0.23543700 0.88081500 0.88361100 1.0
Re Re87 1 0.88361100 0.23543700 0.88081500 1.0
Re Re88 1 0.88081500 0.88361100 0.23543700 1.0
Re Re89 1 0.38361100 0.38081500 0.73543700 1.0
Re Re90 1 0.73543700 0.38361100 0.38081500 1.0
Re Re91 1 0.38081500 0.73543700 0.38361100 1.0