SrHg8
传统材料 TRAMP-ID: mp-1203966 · 空间群: Pnma (#62)
基础信息
化学式
SrHg8
MP-ID
mp-1203966
元素数
2
位点数
72
密度
11.1327
g/cm³
体积
2,019.42
ų
晶胞参数 a
5.4710
Å
晶胞参数 b
13.4958
Å
晶胞参数 c
27.3503
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pnma
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.16466
eV/atom
能量/原子
-0.62797
eV/atom
凸包距离
0.0282
eV/atom
未修正能量
-0.6280
eV/atom
体积/原子
28.05
ų
c/a 比
4.9992
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
0.0167
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
Hg · 0.889
元素家族
N/A
溶质分数
0.111
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.594
家族
Binary Alloy
基质元素
Hg · 0.889
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-1203966
参考引用
The crystal structure and related material properties of SrHg8 were obtained from the Materials Project database (MP-ID: mp-1203966, 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_SrHg8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47097300
_cell_length_b 13.49580200
_cell_length_c 27.35031400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrHg8
_chemical_formula_sum 'Sr8 Hg64'
_cell_volume 2019.41503876
_cell_formula_units_Z 8
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
Sr Sr0 1 0.25000000 0.04438600 0.29876700 1.0
Sr Sr1 1 0.25000000 0.54438600 0.20123300 1.0
Sr Sr2 1 0.75000000 0.95561400 0.70123300 1.0
Sr Sr3 1 0.75000000 0.45561400 0.79876700 1.0
Sr Sr4 1 0.25000000 0.07813500 0.90501100 1.0
Sr Sr5 1 0.25000000 0.57813500 0.59498900 1.0
Sr Sr6 1 0.75000000 0.92186500 0.09498900 1.0
Sr Sr7 1 0.75000000 0.42186500 0.40501100 1.0
Hg Hg8 1 0.25000000 0.00801300 0.44872000 1.0
Hg Hg9 1 0.25000000 0.50801300 0.05128000 1.0
Hg Hg10 1 0.75000000 0.99198700 0.55128000 1.0
Hg Hg11 1 0.75000000 0.49198700 0.94872000 1.0
Hg Hg12 1 0.25000000 0.07260100 0.15762700 1.0
Hg Hg13 1 0.25000000 0.57260100 0.34237300 1.0
Hg Hg14 1 0.75000000 0.92739900 0.84237300 1.0
Hg Hg15 1 0.75000000 0.42739900 0.65762700 1.0
Hg Hg16 1 0.25000000 0.07124800 0.77330100 1.0
Hg Hg17 1 0.25000000 0.57124800 0.72669900 1.0
Hg Hg18 1 0.75000000 0.92875200 0.22669900 1.0
Hg Hg19 1 0.75000000 0.42875200 0.27330100 1.0
Hg Hg20 1 0.25000000 0.12636800 0.66756200 1.0
Hg Hg21 1 0.25000000 0.62636800 0.83243800 1.0
Hg Hg22 1 0.75000000 0.87363200 0.33243800 1.0
Hg Hg23 1 0.75000000 0.37363200 0.16756200 1.0
Hg Hg24 1 0.25000000 0.13559800 0.53979400 1.0
Hg Hg25 1 0.25000000 0.63559800 0.96020600 1.0
Hg Hg26 1 0.75000000 0.86440200 0.46020600 1.0
Hg Hg27 1 0.75000000 0.36440200 0.03979400 1.0
Hg Hg28 1 0.25000000 0.22054300 0.40784000 1.0
Hg Hg29 1 0.25000000 0.72054300 0.09216000 1.0
Hg Hg30 1 0.75000000 0.77945700 0.59216000 1.0
Hg Hg31 1 0.75000000 0.27945700 0.90784000 1.0
Hg Hg32 1 0.25000000 0.27196900 0.21849900 1.0
Hg Hg33 1 0.25000000 0.77196900 0.28150100 1.0
Hg Hg34 1 0.75000000 0.72803100 0.78150100 1.0
Hg Hg35 1 0.75000000 0.22803100 0.71849900 1.0
Hg Hg36 1 0.25000000 0.27779900 0.81562900 1.0
Hg Hg37 1 0.25000000 0.77779900 0.68437100 1.0
Hg Hg38 1 0.75000000 0.72220100 0.18437100 1.0
Hg Hg39 1 0.75000000 0.22220100 0.31562900 1.0
Hg Hg40 1 0.25000000 0.28567500 0.98643200 1.0
Hg Hg41 1 0.25000000 0.78567500 0.51356800 1.0
Hg Hg42 1 0.75000000 0.71432500 0.01356800 1.0
Hg Hg43 1 0.75000000 0.21432500 0.48643200 1.0
Hg Hg44 1 0.25000000 0.31039400 0.10666900 1.0
Hg Hg45 1 0.25000000 0.81039400 0.39333100 1.0
Hg Hg46 1 0.75000000 0.68960600 0.89333100 1.0
Hg Hg47 1 0.75000000 0.18960600 0.60666900 1.0
Hg Hg48 1 0.25000000 0.32556100 0.60413900 1.0
Hg Hg49 1 0.25000000 0.82556100 0.89586100 1.0
Hg Hg50 1 0.75000000 0.67443900 0.39586100 1.0
Hg Hg51 1 0.75000000 0.17443900 0.10413900 1.0
Hg Hg52 1 0.25000000 0.35503900 0.32071700 1.0
Hg Hg53 1 0.25000000 0.85503900 0.17928300 1.0
Hg Hg54 1 0.75000000 0.64496100 0.67928300 1.0
Hg Hg55 1 0.75000000 0.14496100 0.82071700 1.0
Hg Hg56 1 0.25000000 0.35407700 0.71411100 1.0
Hg Hg57 1 0.25000000 0.85407700 0.78588900 1.0
Hg Hg58 1 0.75000000 0.64592300 0.28588900 1.0
Hg Hg59 1 0.75000000 0.14592300 0.21411100 1.0
Hg Hg60 1 0.25000000 0.37253700 0.49031300 1.0
Hg Hg61 1 0.25000000 0.87253700 0.00968700 1.0
Hg Hg62 1 0.75000000 0.62746300 0.50968700 1.0
Hg Hg63 1 0.75000000 0.12746300 0.99031300 1.0
Hg Hg64 1 0.25000000 0.43003600 0.89437200 1.0
Hg Hg65 1 0.25000000 0.93003600 0.60562800 1.0
Hg Hg66 1 0.75000000 0.56996400 0.10562800 1.0
Hg Hg67 1 0.75000000 0.06996400 0.39437200 1.0
Hg Hg68 1 0.25000000 0.58449000 0.45302600 1.0
Hg Hg69 1 0.25000000 0.08449000 0.04697400 1.0
Hg Hg70 1 0.75000000 0.41551000 0.54697400 1.0
Hg Hg71 1 0.75000000 0.91551000 0.95302600 1.0