Hg
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-10861 · Space group: P6/mmm (#191)
Basic Information
Formula
Hg
MP-ID
mp-10861
Elements
1
Sites
3
Density
12.1216
g/cm³
Volume
82.44
ų
Cell a
5.4667
Å
Cell b
5.4667
Å
Cell c
3.1852
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.01 | 3.1852 | 8.3 | (0,0,0,1) |
| 32.76 | 2.7334 | 50.0 | (1,-2,1,0) |
| 32.76 | 2.7334 | 100.0 | (2,-1,-1,0) |
| 33.92 | 2.6428 | 81.2 | (1,-1,0,1) |
| 33.92 | 2.6428 | 40.6 | (1,0,-1,1) |
| 43.64 | 2.0743 | 15.4 | (2,-1,-1,1) |
| 47.88 | 1.8999 | 31.4 | (2,-2,0,1) |
| 47.88 | 1.8999 | 15.7 | (2,0,-2,1) |
| 57.90 | 1.5926 | 10.1 | (0,0,0,2) |
| 58.49 | 1.5781 | 9.8 | (3,-3,0,0) |
| 58.49 | 1.5781 | 9.8 | (0,3,-3,0) |
| 58.49 | 1.5781 | 9.8 | (3,0,-3,0) |
| 59.23 | 1.5601 | 16.8 | (2,-3,1,1) |
| 59.23 | 1.5601 | 33.6 | (3,-1,-2,1) |
| 66.07 | 1.4141 | 1.5 | (3,-3,0,1) |
| 66.07 | 1.4141 | 1.5 | (0,3,-3,1) |
| 66.07 | 1.4141 | 1.5 | (3,0,-3,1) |
| 68.14 | 1.3761 | 12.5 | (1,-2,1,2) |
| 68.14 | 1.3761 | 25.1 | (2,-1,-1,2) |
| 68.68 | 1.3667 | 6.1 | (2,-4,2,0) |
| 68.68 | 1.3667 | 6.1 | (4,-2,-2,0) |
| 68.68 | 1.3667 | 6.1 | (2,2,-4,0) |
| 75.73 | 1.2560 | 1.0 | (2,-4,2,1) |
| 75.73 | 1.2560 | 2.1 | (4,-2,-2,1) |
Energy Properties
Formation Energy/atom
0.00296
eV/atom
Energy/atom
-49.36485
eV/atom
Energy above Hull
0.0030
eV/atom
Uncorrected Energy
-49.3648
eV/atom
Volume/atom
27.48
ų
c/a Ratio
0.5827
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
7.842
GPa
GVRH
1.680
GPa
Young's Modulus E
4.704
GPa
Poisson Ratio ν
0.400
Pugh Ratio K/G
4.668
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
6.460
Lame λ
6.722
GPa
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
0.571
Family
Pure Metal
Matrix Element
Hg · 1.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
6.4600
Homogeneous Poisson ν
0.4000
Debye Temperature
41.6
K
Sound Velocity
421.4
m/s
Homogeneity
0.4000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10861
Reference Citation
The crystal structure and related material properties of Hg were obtained from the Materials Project database (MP-ID: mp-10861, 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
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Raw CIF Data
# generated using pymatgen
data_Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46669600
_cell_length_b 5.46669687
_cell_length_c 3.18521781
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000834
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg
_chemical_formula_sum Hg3
_cell_volume 82.43651941
_cell_formula_units_Z 3
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 0.33333300 0.66666700 0.50000000 1.0
Hg Hg1 1 0.66666700 0.33333300 0.50000000 1.0
Hg Hg2 1 0.00000000 -0.00000000 0.00000000 1.0
