Hg

Elasticity Data ELA

MP-ID: mp-1184554 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MP-ID

mp-1184554

Elements

Sites

Density

11.6969

g/cm³

Volume

56.95

Å³

Cell a

3.4618

Cell b

3.4618

Cell c

5.4876

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
29.80	2.9980	15.7	(1,-1,0,0)
29.80	2.9980	31.3	(1,0,-1,0)
32.64	2.7438	49.7	(0,0,0,2)
34.08	2.6310	66.7	(1,-1,0,1)
34.08	2.6310	100.0	(1,0,-1,1)
34.08	2.6310	33.3	(1,0,-1,-1)
44.78	2.0241	10.6	(1,-1,0,2)
44.78	2.0241	21.1	(1,0,-1,2)
52.90	1.7309	26.0	(2,-1,-1,0)
52.90	1.7309	13.0	(1,1,-2,0)
59.17	1.5615	7.0	(1,-1,0,3)
59.17	1.5615	7.0	(1,-1,0,-3)
59.17	1.5615	21.0	(1,0,-1,3)
59.17	1.5615	7.0	(0,1,-1,3)
61.90	1.4990	2.0	(2,-2,0,0)
61.90	1.4990	4.1	(2,0,-2,0)
63.55	1.4640	7.6	(1,-2,1,2)
63.55	1.4640	22.7	(2,-1,-1,2)
63.55	1.4639	15.1	(1,1,-2,2)
64.43	1.4460	10.9	(2,-2,0,1)
64.43	1.4460	5.4	(0,2,-2,-1)
64.43	1.4460	16.3	(2,0,-2,1)
68.38	1.3719	6.1	(0,0,0,4)
71.75	1.3155	1.3	(2,-2,0,2)

Get direct link

Energy Properties

Formation Energy/atom

0.00599

eV/atom

Energy/atom

-49.36181

eV/atom

Energy above Hull

0.0060

eV/atom

Uncorrected Energy

-49.3618

eV/atom

Volume/atom

28.48

Å³

c/a Ratio

1.5852

Electronic Properties

Metallic

Non-metal

Band Gap

0.240

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

7.877

GPa

G_VRH

3.948

GPa

Young's Modulus E

10.149

GPa

Poisson Ratio ν

0.285

Pugh Ratio K/G

1.995

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.023

Lame λ

5.245

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Hg · 1.000

Element Family

5d-TM

Solute Fraction

0.000

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0230

Homogeneous Poisson ν

0.2850

Debye Temperature

63.1

Sound Velocity

647.7

m/s

Homogeneity

0.2850

Related Tasks

Related computation task IDs (5)

aaadotvw aaadwkuq aaaerxge aaaevlpt aaafsiih

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184554

Reference Citation

The crystal structure and related material properties of Hg were obtained from the Materials Project database (MP-ID: mp-1184554, 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   3.46182782
_cell_length_b   3.46182799
_cell_length_c   5.48754828
_cell_angle_alpha   90.00000607
_cell_angle_beta   89.99999570
_cell_angle_gamma   120.00069650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg
_chemical_formula_sum   Hg2
_cell_volume   56.95303686
_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
  Hg  Hg0  1  0.33333280  0.66666705  0.24999818  1.0
  Hg  Hg1  1  0.66666720  0.33333295  0.75000182  1.0

Get direct link