Pr11Hg45
传统材料 TRAMP-ID: mp-1199872 · 空间群: F-43m (#216)
基础信息
化学式
Pr11Hg45
MP-ID
mp-1199872
元素数
2
位点数
112
密度
12.4184
g/cm³
体积
2,828.51
ų
晶胞参数 a
15.8742
Å
晶胞参数 b
15.8742
Å
晶胞参数 c
15.8742
Å
α 角
60.00
°
β 角
60.00
°
γ 角
60.00
°
空间群
F-43m
点群
-43m
晶体系统
Cubic
Bravais 格子
cF
稳定性
No
堆积分数
0.7405
能量属性
形成能/原子
-0.33660
eV/atom
能量/原子
-45.78294
eV/atom
凸包距离
0.0273
eV/atom
未修正能量
-1.4720
eV/atom
体积/原子
25.25
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
0.3404
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000120
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
Hg · 0.804
元素家族
N/A
溶质分数
0.196
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.625
家族
Binary Alloy
基质元素
Hg · 0.804
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-1199872
参考引用
The crystal structure and related material properties of Pr11Hg45 were obtained from the Materials Project database (MP-ID: mp-1199872, 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_Pr11Hg45
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.87416681
_cell_length_b 15.87416681
_cell_length_c 15.87416681
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr11Hg45
_chemical_formula_sum 'Pr22 Hg90'
_cell_volume 2828.51067111
_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
Pr Pr0 1 0.00000000 0.00000000 0.00000000 1.0
Pr Pr1 1 0.01597700 0.32902700 0.63901900 1.0
Pr Pr2 1 0.01597700 0.01597700 0.63901900 1.0
Pr Pr3 1 0.32902700 0.01597700 0.63901900 1.0
Pr Pr4 1 0.01597700 0.63901900 0.32902700 1.0
Pr Pr5 1 0.32902700 0.63901900 0.01597700 1.0
Pr Pr6 1 0.01597700 0.63901900 0.01597700 1.0
Pr Pr7 1 0.63901900 0.01597700 0.01597700 1.0
Pr Pr8 1 0.63901900 0.32902700 0.01597700 1.0
Pr Pr9 1 0.63901900 0.01597700 0.32902700 1.0
Pr Pr10 1 0.32902700 0.01597700 0.01597700 1.0
Pr Pr11 1 0.01597700 0.01597700 0.32902700 1.0
Pr Pr12 1 0.01597700 0.32902700 0.01597700 1.0
Pr Pr13 1 0.25000000 0.25000000 0.25000000 1.0
Pr Pr14 1 0.40577600 0.40577600 0.78267100 1.0
Pr Pr15 1 0.40577600 0.78267100 0.40577600 1.0
Pr Pr16 1 0.78267100 0.40577600 0.40577600 1.0
Pr Pr17 1 0.40577600 0.40577600 0.40577600 1.0
Pr Pr18 1 0.66161600 0.66161600 0.01515100 1.0
Pr Pr19 1 0.66161600 0.01515100 0.66161600 1.0
Pr Pr20 1 0.01515100 0.66161600 0.66161600 1.0
Pr Pr21 1 0.66161600 0.66161600 0.66161600 1.0
Hg Hg22 1 0.08290000 0.08290000 0.75130100 1.0
Hg Hg23 1 0.08290000 0.75130100 0.08290000 1.0
Hg Hg24 1 0.75130100 0.08290000 0.08290000 1.0
Hg Hg25 1 0.08290000 0.08290000 0.08290000 1.0
Hg Hg26 1 0.91457700 0.91457700 0.25626800 1.0
Hg Hg27 1 0.91457700 0.25626800 0.91457700 1.0
Hg Hg28 1 0.25626800 0.91457700 0.91457700 1.0
Hg Hg29 1 0.91457700 0.91457700 0.91457700 1.0
Hg Hg30 1 0.15361700 0.15361700 0.84638300 1.0
Hg Hg31 1 0.84638300 0.15361700 0.84638300 1.0
Hg Hg32 1 0.15361700 0.84638300 0.84638300 1.0
Hg Hg33 1 0.84638300 0.84638300 0.15361700 1.0
Hg Hg34 1 0.15361700 0.84638300 0.15361700 1.0
Hg Hg35 1 0.84638300 0.15361700 0.15361700 1.0
Hg Hg36 1 0.39176100 0.19974600 0.01673200 1.0
Hg Hg37 1 0.39176100 0.39176100 0.01673200 1.0
Hg Hg38 1 0.19974600 0.39176100 0.01673200 1.0
Hg Hg39 1 0.39176100 0.01673200 0.19974600 1.0
Hg Hg40 1 0.19974600 0.01673200 0.39176100 1.0
Hg Hg41 1 0.39176100 0.01673200 0.39176100 1.0
Hg Hg42 1 0.01673200 0.39176100 0.39176100 1.0
Hg Hg43 1 0.01673200 0.19974600 0.39176100 1.0
Hg Hg44 1 0.01673200 0.39176100 0.19974600 1.0
Hg Hg45 1 0.19974600 0.39176100 0.39176100 1.0
Hg Hg46 1 0.39176100 0.39176100 0.19974600 1.0
Hg Hg47 1 0.39176100 0.19974600 0.39176100 1.0
Hg Hg48 1 0.16248100 0.16248100 0.51255600 1.0
Hg Hg49 1 0.16248100 0.51255600 0.16248100 1.0
Hg Hg50 1 0.51255600 0.16248100 0.16248100 1.0
Hg Hg51 1 0.16248100 0.16248100 0.16248100 1.0
Hg Hg52 1 0.25836800 0.61517100 0.86809400 1.0
Hg Hg53 1 0.25836800 0.25836800 0.86809400 1.0
Hg Hg54 1 0.61517100 0.25836800 0.86809400 1.0
Hg Hg55 1 0.25836800 0.86809400 0.61517100 1.0
Hg Hg56 1 0.61517100 0.86809400 0.25836800 1.0
Hg Hg57 1 0.25836800 0.86809400 0.25836800 1.0
Hg Hg58 1 0.86809400 0.25836800 0.25836800 1.0
Hg Hg59 1 0.86809400 0.61517100 0.25836800 1.0
Hg Hg60 1 0.86809400 0.25836800 0.61517100 1.0
Hg Hg61 1 0.61517100 0.25836800 0.25836800 1.0
Hg Hg62 1 0.25836800 0.25836800 0.61517100 1.0
Hg Hg63 1 0.25836800 0.61517100 0.25836800 1.0
Hg Hg64 1 0.50000000 0.50000000 0.50000000 1.0
Hg Hg65 1 0.64204600 0.44976600 0.26614200 1.0
Hg Hg66 1 0.64204600 0.64204600 0.26614200 1.0
Hg Hg67 1 0.44976600 0.64204600 0.26614200 1.0
Hg Hg68 1 0.64204600 0.26614200 0.44976600 1.0
Hg Hg69 1 0.44976600 0.26614200 0.64204600 1.0
Hg Hg70 1 0.64204600 0.26614200 0.64204600 1.0
Hg Hg71 1 0.26614200 0.64204600 0.64204600 1.0
Hg Hg72 1 0.26614200 0.44976600 0.64204600 1.0
Hg Hg73 1 0.26614200 0.64204600 0.44976600 1.0
Hg Hg74 1 0.44976600 0.64204600 0.64204600 1.0
Hg Hg75 1 0.64204600 0.64204600 0.44976600 1.0
Hg Hg76 1 0.64204600 0.44976600 0.64204600 1.0
Hg Hg77 1 0.51176700 0.83725400 0.13921300 1.0
Hg Hg78 1 0.51176700 0.51176700 0.13921300 1.0
Hg Hg79 1 0.83725400 0.51176700 0.13921300 1.0
Hg Hg80 1 0.51176700 0.13921300 0.83725400 1.0
Hg Hg81 1 0.83725400 0.13921300 0.51176700 1.0
Hg Hg82 1 0.51176700 0.13921300 0.51176700 1.0
Hg Hg83 1 0.13921300 0.51176700 0.51176700 1.0
Hg Hg84 1 0.13921300 0.83725400 0.51176700 1.0
Hg Hg85 1 0.13921300 0.51176700 0.83725400 1.0
Hg Hg86 1 0.83725400 0.51176700 0.51176700 1.0
Hg Hg87 1 0.51176700 0.51176700 0.83725400 1.0
Hg Hg88 1 0.51176700 0.83725400 0.51176700 1.0
Hg Hg89 1 0.75000000 0.75000000 0.75000000 1.0
Hg Hg90 1 0.82786100 0.82786100 0.51641700 1.0
Hg Hg91 1 0.82786100 0.51641700 0.82786100 1.0
Hg Hg92 1 0.51641700 0.82786100 0.82786100 1.0
Hg Hg93 1 0.82786100 0.82786100 0.82786100 1.0
Hg Hg94 1 0.91151200 0.91151200 0.58848800 1.0
Hg Hg95 1 0.58848800 0.91151200 0.58848800 1.0
Hg Hg96 1 0.91151200 0.58848800 0.58848800 1.0
Hg Hg97 1 0.58848800 0.58848800 0.91151200 1.0
Hg Hg98 1 0.91151200 0.58848800 0.91151200 1.0
Hg Hg99 1 0.58848800 0.91151200 0.91151200 1.0
Hg Hg100 1 0.76460300 0.06615100 0.40464400 1.0
Hg Hg101 1 0.76460300 0.76460300 0.40464400 1.0
Hg Hg102 1 0.06615100 0.76460300 0.40464400 1.0
Hg Hg103 1 0.76460300 0.40464400 0.06615100 1.0
Hg Hg104 1 0.06615100 0.40464400 0.76460300 1.0
Hg Hg105 1 0.76460300 0.40464400 0.76460300 1.0
Hg Hg106 1 0.40464400 0.76460300 0.76460300 1.0
Hg Hg107 1 0.40464400 0.06615100 0.76460300 1.0
Hg Hg108 1 0.40464400 0.76460300 0.06615100 1.0
Hg Hg109 1 0.06615100 0.76460300 0.76460300 1.0
Hg Hg110 1 0.76460300 0.76460300 0.06615100 1.0
Hg Hg111 1 0.76460300 0.06615100 0.76460300 1.0