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Hg

Traditional Materials TRA

MP-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
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 19)
2θd (Å)Ihkl
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)
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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

Related computation task IDs (3)

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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
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
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