Ge8Pd21
传统材料 TRAMP-ID: mp-582201 · 空间群: I4_1/a (#88)
基础信息
化学式
Ge8Pd21
MP-ID
mp-582201
元素数
2
位点数
58
密度
10.9025
g/cm³
体积
857.78
ų
晶胞参数 a
9.9990
Å
晶胞参数 b
10.5259
Å
晶胞参数 c
10.5246
Å
α 角
76.96
°
β 角
61.64
°
γ 角
61.64
°
空间群
I4_1/a
点群
4/m
晶体系统
Tetragonal
Bravais 格子
tI
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.48071
eV/atom
能量/原子
-5.50698
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-5.5070
eV/atom
体积/原子
14.79
ų
c/a 比
1.0526
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
Yes
总磁矩
0.0000
μB
磁有序
Unknown
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
Pd · 0.724
元素家族
N/A
溶质分数
0.276
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.722
家族
Binary Alloy
基质元素
Pd · 0.724
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-582201
参考引用
The crystal structure and related material properties of Ge8Pd21 were obtained from the Materials Project database (MP-ID: mp-582201, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Ge8Pd21
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.99900025
_cell_length_b 10.52585394
_cell_length_c 10.52456098
_cell_angle_alpha 76.95796383
_cell_angle_beta 61.64474194
_cell_angle_gamma 61.63841970
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge8Pd21
_chemical_formula_sum 'Ge16 Pd42'
_cell_volume 857.78183490
_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 0.56708245 0.03029205 0.77810231 1.0
Ge Ge1 1 0.72622621 0.64367830 0.55011585 1.0
Ge Ge2 1 0.65484761 0.27807753 0.96973379 1.0
Ge Ge3 1 0.43291755 0.96970795 0.22189769 1.0
Ge Ge4 1 0.08009614 0.14354723 0.05017119 1.0
Ge Ge5 1 0.13012413 0.44978252 0.14360110 1.0
Ge Ge6 1 0.86987587 0.55021748 0.85639890 1.0
Ge Ge7 1 0.91990386 0.85645177 0.94982881 1.0
Ge Ge8 1 0.27644269 0.94976497 0.64355057 1.0
Ge Ge9 1 0.09726071 0.77816583 0.46984631 1.0
Ge Ge10 1 0.27377379 0.35632170 0.44988415 1.0
Ge Ge11 1 0.72355731 0.05023503 0.35644943 1.0
Ge Ge12 1 0.34515239 0.72192247 0.03026621 1.0
Ge Ge13 1 0.37551633 0.46977154 0.72183594 1.0
Ge Ge14 1 0.62448367 0.53022846 0.27816406 1.0
Ge Ge15 1 0.90273929 0.22183417 0.53015369 1.0
Pd Pd16 1 0.01823251 0.40551961 0.41197755 1.0
Pd Pd17 1 0.83158247 0.23130866 0.32618219 1.0
Pd Pd18 1 0.15777641 0.17388043 0.23124304 1.0
Pd Pd19 1 0.38893273 0.26881118 0.17394865 1.0
Pd Pd20 1 0.56983394 0.91196438 0.59445331 1.0
Pd Pd21 1 0.60598655 0.51626331 0.04381092 1.0
Pd Pd22 1 0.93276190 0.28549598 0.89296154 1.0
Pd Pd23 1 0.83388075 0.01629611 0.54391930 1.0
Pd Pd24 1 0.17427246 0.39300080 0.71447990 1.0
Pd Pd25 1 0.23595286 0.55945509 0.27493804 1.0
Pd Pd26 1 0.39401345 0.48373669 0.95618908 1.0
Pd Pd27 1 0.29556415 0.27478076 0.94050246 1.0
Pd Pd28 1 0.51082995 0.22509193 0.55950957 1.0
Pd Pd29 1 0.43713170 0.67388589 0.73123135 1.0
Pd Pd30 1 0.92969356 0.05930441 0.77465282 1.0
Pd Pd31 1 0.88870060 0.78566734 0.39303570 1.0
Pd Pd32 1 0.28176945 0.10683994 0.78559449 1.0
Pd Pd33 1 0.92368706 0.41194694 0.09444741 1.0
Pd Pd34 1 0.98176749 0.59448039 0.58802245 1.0
Pd Pd35 1 0.35016386 0.54378613 0.48376991 1.0
Pd Pd36 1 0.76404714 0.44054491 0.72506196 1.0
Pd Pd37 1 0.64983614 0.45621387 0.51623009 1.0
Pd Pd38 1 0.71823055 0.89316006 0.21440451 1.0
Pd Pd39 1 0.84222359 0.82611957 0.76875696 1.0
Pd Pd40 1 0.06723810 0.71450402 0.10703846 1.0
Pd Pd41 1 0.61106727 0.73118882 0.82605135 1.0
Pd Pd42 1 0.83580692 0.09450943 0.08809593 1.0
Pd Pd43 1 0.16419308 0.90549057 0.91190407 1.0
Pd Pd44 1 0.62505401 0.25005808 0.74991551 1.0
Pd Pd45 1 0.16611925 0.98370389 0.45608070 1.0
Pd Pd46 1 0.37788471 0.95598926 0.01627848 1.0
Pd Pd47 1 0.70443585 0.72521924 0.05949754 1.0
Pd Pd48 1 0.56286830 0.32611411 0.26876865 1.0
Pd Pd49 1 0.62211529 0.04401074 0.98372152 1.0
Pd Pd50 1 0.07030644 0.94069559 0.22534718 1.0
Pd Pd51 1 0.11129940 0.21433266 0.60696430 1.0
Pd Pd52 1 0.07631194 0.58805306 0.90555259 1.0
Pd Pd53 1 0.16841753 0.76869134 0.67381781 1.0
Pd Pd54 1 0.43016606 0.08803562 0.40554669 1.0
Pd Pd55 1 0.37494599 0.74994192 0.25008449 1.0
Pd Pd56 1 0.48916905 0.77490807 0.44049043 1.0
Pd Pd57 1 0.82572754 0.60699920 0.28552010 1.0