Hg
Traditional Materials TRAMP-ID: mp-982872 · Space group: R-3m (#166)
Basic Information
Formula
Hg
MP-ID
mp-982872
Elements
1
Sites
1
Density
10.5690
g/cm³
Volume
31.52
ų
Cell a
3.1620
Å
Cell b
3.1620
Å
Cell c
3.1620
Å
α Angle
92.56
°
β Angle
92.56
°
γ Angle
92.56
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.28 | 3.1554 | 100.0 | (1,0,0) |
| 39.43 | 2.2852 | 42.1 | (1,0,-1) |
| 41.40 | 2.1809 | 36.8 | (1,1,0) |
| 49.23 | 1.8508 | 22.5 | (1,1,-1) |
| 52.53 | 1.7422 | 6.2 | (1,1,1) |
| 58.50 | 1.5777 | 13.5 | (2,0,0) |
| 64.83 | 1.4382 | 20.0 | (2,0,-1) |
| 67.62 | 1.3855 | 11.8 | (2,0,1) |
| 67.62 | 1.3855 | 5.9 | (2,1,0) |
| 71.51 | 1.3193 | 5.0 | (2,-1,-1) |
| 71.51 | 1.3193 | 2.5 | (1,1,-2) |
| 72.85 | 1.2983 | 4.8 | (2,-1,1) |
| 72.85 | 1.2983 | 4.8 | (1,-1,2) |
| 72.85 | 1.2983 | 4.8 | (2,1,-1) |
| 76.82 | 1.2408 | 6.3 | (2,1,1) |
| 84.86 | 1.1426 | 1.7 | (2,-2,0) |
| 84.86 | 1.1426 | 3.3 | (2,0,-2) |
| 89.98 | 1.0904 | 3.0 | (2,0,2) |
| 89.98 | 1.0904 | 1.5 | (2,2,0) |
Energy Properties
Formation Energy/atom
0.02047
eV/atom
Energy/atom
-49.34734
eV/atom
Energy above Hull
0.0205
eV/atom
Uncorrected Energy
-0.2832
eV/atom
Volume/atom
31.52
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hg · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.559
Family
Pure Metal
Matrix Element
Hg · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-982872
Reference Citation
The crystal structure and related material properties of Hg were obtained from the Materials Project database (MP-ID: mp-982872, database version v2026.04.13).
Literature Citation
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
3D Crystal Structure Rendering
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16194796
_cell_length_b 3.16194796
_cell_length_c 3.16194785
_cell_angle_alpha 92.55638138
_cell_angle_beta 92.55638138
_cell_angle_gamma 92.55639222
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg
_chemical_formula_sum Hg1
_cell_volume 31.51559532
_cell_formula_units_Z 1
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
Hg Hg0 1 0.00000000 0.00000000 0.00000000 1.0
