La11Hg45
传统材料 TRAMP-ID: mp-1204948 · 空间群: F-43m (#216)
基础信息
化学式
La11Hg45
MP-ID
mp-1204948
元素数
2
位点数
112
密度
12.2269
g/cm³
体积
2,866.83
ų
晶胞参数 a
15.9455
Å
晶胞参数 b
15.9455
Å
晶胞参数 c
15.9455
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
-0.38961
eV/atom
能量/原子
-45.90289
eV/atom
凸包距离
0.0025
eV/atom
未修正能量
-1.5536
eV/atom
体积/原子
25.60
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
1.0854
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000380
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
0.721
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-1204948
参考引用
The crystal structure and related material properties of La11Hg45 were obtained from the Materials Project database (MP-ID: mp-1204948, 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_La11Hg45
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.94553227
_cell_length_b 15.94553227
_cell_length_c 15.94553227
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La11Hg45
_chemical_formula_sum 'La22 Hg90'
_cell_volume 2866.83082052
_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
La La0 1 0.00000000 0.00000000 0.00000000 1.0
La La1 1 0.01498800 0.33013000 0.63989400 1.0
La La2 1 0.01498800 0.01498800 0.63989400 1.0
La La3 1 0.33013000 0.01498800 0.63989400 1.0
La La4 1 0.01498800 0.63989400 0.33013000 1.0
La La5 1 0.33013000 0.63989400 0.01498800 1.0
La La6 1 0.01498800 0.63989400 0.01498800 1.0
La La7 1 0.63989400 0.01498800 0.01498800 1.0
La La8 1 0.63989400 0.33013000 0.01498800 1.0
La La9 1 0.63989400 0.01498800 0.33013000 1.0
La La10 1 0.33013000 0.01498800 0.01498800 1.0
La La11 1 0.01498800 0.01498800 0.33013000 1.0
La La12 1 0.01498800 0.33013000 0.01498800 1.0
La La13 1 0.25000000 0.25000000 0.25000000 1.0
La La14 1 0.40615800 0.40615800 0.78152600 1.0
La La15 1 0.40615800 0.78152600 0.40615800 1.0
La La16 1 0.78152600 0.40615800 0.40615800 1.0
La La17 1 0.40615800 0.40615800 0.40615800 1.0
La La18 1 0.66164000 0.66164000 0.01508000 1.0
La La19 1 0.66164000 0.01508000 0.66164000 1.0
La La20 1 0.01508000 0.66164000 0.66164000 1.0
La La21 1 0.66164000 0.66164000 0.66164000 1.0
Hg Hg22 1 0.08309300 0.08309300 0.75072100 1.0
Hg Hg23 1 0.08309300 0.75072100 0.08309300 1.0
Hg Hg24 1 0.75072100 0.08309300 0.08309300 1.0
Hg Hg25 1 0.08309300 0.08309300 0.08309300 1.0
Hg Hg26 1 0.91452200 0.91452200 0.25643400 1.0
Hg Hg27 1 0.91452200 0.25643400 0.91452200 1.0
Hg Hg28 1 0.25643400 0.91452200 0.91452200 1.0
Hg Hg29 1 0.91452200 0.91452200 0.91452200 1.0
Hg Hg30 1 0.15461200 0.15461200 0.84538800 1.0
Hg Hg31 1 0.84538800 0.15461200 0.84538800 1.0
Hg Hg32 1 0.15461200 0.84538800 0.84538800 1.0
Hg Hg33 1 0.84538800 0.84538800 0.15461200 1.0
Hg Hg34 1 0.15461200 0.84538800 0.15461200 1.0
Hg Hg35 1 0.84538800 0.15461200 0.15461200 1.0
Hg Hg36 1 0.39178000 0.19966000 0.01678000 1.0
Hg Hg37 1 0.39178000 0.39178000 0.01678000 1.0
Hg Hg38 1 0.19966000 0.39178000 0.01678000 1.0
Hg Hg39 1 0.39178000 0.01678000 0.19966000 1.0
Hg Hg40 1 0.19966000 0.01678000 0.39178000 1.0
Hg Hg41 1 0.39178000 0.01678000 0.39178000 1.0
Hg Hg42 1 0.01678000 0.39178000 0.39178000 1.0
Hg Hg43 1 0.01678000 0.19966000 0.39178000 1.0
Hg Hg44 1 0.01678000 0.39178000 0.19966000 1.0
Hg Hg45 1 0.19966000 0.39178000 0.39178000 1.0
Hg Hg46 1 0.39178000 0.39178000 0.19966000 1.0
Hg Hg47 1 0.39178000 0.19966000 0.39178000 1.0
Hg Hg48 1 0.16267200 0.16267200 0.51198400 1.0
Hg Hg49 1 0.16267200 0.51198400 0.16267200 1.0
Hg Hg50 1 0.51198400 0.16267200 0.16267200 1.0
Hg Hg51 1 0.16267200 0.16267200 0.16267200 1.0
Hg Hg52 1 0.25918100 0.61552100 0.86611700 1.0
Hg Hg53 1 0.25918100 0.25918100 0.86611700 1.0
Hg Hg54 1 0.61552100 0.25918100 0.86611700 1.0
Hg Hg55 1 0.25918100 0.86611700 0.61552100 1.0
Hg Hg56 1 0.61552100 0.86611700 0.25918100 1.0
Hg Hg57 1 0.25918100 0.86611700 0.25918100 1.0
Hg Hg58 1 0.86611700 0.25918100 0.25918100 1.0
Hg Hg59 1 0.86611700 0.61552100 0.25918100 1.0
Hg Hg60 1 0.86611700 0.25918100 0.61552100 1.0
Hg Hg61 1 0.61552100 0.25918100 0.25918100 1.0
Hg Hg62 1 0.25918100 0.25918100 0.61552100 1.0
Hg Hg63 1 0.25918100 0.61552100 0.25918100 1.0
Hg Hg64 1 0.50000000 0.50000000 0.50000000 1.0
Hg Hg65 1 0.64170600 0.45006800 0.26651900 1.0
Hg Hg66 1 0.64170600 0.64170600 0.26651900 1.0
Hg Hg67 1 0.45006800 0.64170600 0.26651900 1.0
Hg Hg68 1 0.64170600 0.26651900 0.45006800 1.0
Hg Hg69 1 0.45006800 0.26651900 0.64170600 1.0
Hg Hg70 1 0.64170600 0.26651900 0.64170600 1.0
Hg Hg71 1 0.26651900 0.64170600 0.64170600 1.0
Hg Hg72 1 0.26651900 0.45006800 0.64170600 1.0
Hg Hg73 1 0.26651900 0.64170600 0.45006800 1.0
Hg Hg74 1 0.45006800 0.64170600 0.64170600 1.0
Hg Hg75 1 0.64170600 0.64170600 0.45006800 1.0
Hg Hg76 1 0.64170600 0.45006800 0.64170600 1.0
Hg Hg77 1 0.51153900 0.83695100 0.13997100 1.0
Hg Hg78 1 0.51153900 0.51153900 0.13997100 1.0
Hg Hg79 1 0.83695100 0.51153900 0.13997100 1.0
Hg Hg80 1 0.51153900 0.13997100 0.83695100 1.0
Hg Hg81 1 0.83695100 0.13997100 0.51153900 1.0
Hg Hg82 1 0.51153900 0.13997100 0.51153900 1.0
Hg Hg83 1 0.13997100 0.51153900 0.51153900 1.0
Hg Hg84 1 0.13997100 0.83695100 0.51153900 1.0
Hg Hg85 1 0.13997100 0.51153900 0.83695100 1.0
Hg Hg86 1 0.83695100 0.51153900 0.51153900 1.0
Hg Hg87 1 0.51153900 0.51153900 0.83695100 1.0
Hg Hg88 1 0.51153900 0.83695100 0.51153900 1.0
Hg Hg89 1 0.75000000 0.75000000 0.75000000 1.0
Hg Hg90 1 0.82830200 0.82830200 0.51509500 1.0
Hg Hg91 1 0.82830200 0.51509500 0.82830200 1.0
Hg Hg92 1 0.51509500 0.82830200 0.82830200 1.0
Hg Hg93 1 0.82830200 0.82830200 0.82830200 1.0
Hg Hg94 1 0.91138600 0.91138600 0.58861400 1.0
Hg Hg95 1 0.58861400 0.91138600 0.58861400 1.0
Hg Hg96 1 0.91138600 0.58861400 0.58861400 1.0
Hg Hg97 1 0.58861400 0.58861400 0.91138600 1.0
Hg Hg98 1 0.91138600 0.58861400 0.91138600 1.0
Hg Hg99 1 0.58861400 0.91138600 0.91138600 1.0
Hg Hg100 1 0.76394000 0.06737900 0.40474200 1.0
Hg Hg101 1 0.76394000 0.76394000 0.40474200 1.0
Hg Hg102 1 0.06737900 0.76394000 0.40474200 1.0
Hg Hg103 1 0.76394000 0.40474200 0.06737900 1.0
Hg Hg104 1 0.06737900 0.40474200 0.76394000 1.0
Hg Hg105 1 0.76394000 0.40474200 0.76394000 1.0
Hg Hg106 1 0.40474200 0.76394000 0.76394000 1.0
Hg Hg107 1 0.40474200 0.06737900 0.76394000 1.0
Hg Hg108 1 0.40474200 0.76394000 0.06737900 1.0
Hg Hg109 1 0.06737900 0.76394000 0.76394000 1.0
Hg Hg110 1 0.76394000 0.76394000 0.06737900 1.0
Hg Hg111 1 0.76394000 0.06737900 0.76394000 1.0