Mg2Hg

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30719 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Mg2Hg

MP-ID

mp-30719

Elements

Sites

Density

6.6153

g/cm³

Volume

250.21

Å³

Cell a

4.6321

Cell b

6.1631

Cell c

8.7647

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
17.59	5.0415	5.4	(0,1,1)
21.70	4.0953	62.9	(1,0,1)
24.93	3.5715	100.0	(0,1,2)
26.13	3.4109	91.9	(1,1,1)
28.98	3.0815	34.9	(0,2,0)
30.76	2.9071	4.9	(0,2,1)
31.63	2.8284	1.6	(1,1,2)
33.96	2.6400	3.5	(0,1,3)
34.97	2.5657	18.8	(1,2,0)
35.62	2.5207	3.3	(0,2,2)
36.36	2.4711	52.0	(1,0,3)
36.49	2.4623	55.4	(1,2,1)
38.89	2.3160	33.2	(2,0,0)
39.28	2.2936	34.2	(1,1,3)
41.20	2.1912	14.8	(0,0,4)
42.64	2.1202	7.2	(0,2,3)
42.98	2.1046	1.2	(2,1,1)
45.34	2.0002	2.5	(0,3,1)
46.75	1.9432	38.9	(2,1,2)
47.14	1.9278	26.4	(1,2,3)
48.97	1.8601	15.1	(0,3,2)
49.21	1.8514	16.7	(2,2,0)
49.65	1.8363	12.9	(1,3,1)
50.38	1.8114	2.6	(2,2,1)

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Energy Properties

Formation Energy/atom

-0.17294

eV/atom

Energy/atom

-1.36314

eV/atom

Energy above Hull

0.0025

eV/atom

Uncorrected Energy

-19.4528

eV/atom

Volume/atom

20.85

Å³

c/a Ratio

1.8922

Electronic Properties

Metallic

Metal

Band Gap

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

44.345

GPa

G_VRH

15.581

GPa

Young's Modulus E

41.842

GPa

Poisson Ratio ν

0.343

Pugh Ratio K/G

2.846

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.408

Lame λ

33.958

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.786

Family

Mg-based Alloy

Matrix Element

Mg · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4080

Homogeneous Poisson ν

0.3430

Debye Temperature

186.4

Sound Velocity

1,723.8

m/s

Homogeneity

0.3430

Related Tasks

Related computation task IDs (3)

aaaceorn aaadszch aaaemomh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30719

Reference Citation

The crystal structure and related material properties of Mg2Hg were obtained from the Materials Project database (MP-ID: mp-30719, 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…

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Raw CIF Data

# generated using pymatgen
data_Mg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63206195
_cell_length_b   6.16307759
_cell_length_c   8.76472405
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Hg
_chemical_formula_sum   'Mg8 Hg4'
_cell_volume   250.21321410
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.25000000  0.95822631  0.70672764  1.0
  Mg  Mg1  1  0.75000000  0.04177369  0.29327236  1.0
  Mg  Mg2  1  0.25000000  0.45822631  0.79327236  1.0
  Mg  Mg3  1  0.75000000  0.54177369  0.20672764  1.0
  Mg  Mg4  1  0.75000000  0.17640991  0.94049501  1.0
  Mg  Mg5  1  0.25000000  0.82359009  0.05950499  1.0
  Mg  Mg6  1  0.75000000  0.67640991  0.55950499  1.0
  Mg  Mg7  1  0.25000000  0.32359009  0.44049501  1.0
  Hg  Hg8  1  0.25000000  0.78379988  0.38351578  1.0
  Hg  Hg9  1  0.75000000  0.21620012  0.61648422  1.0
  Hg  Hg10  1  0.25000000  0.28379988  0.11648422  1.0
  Hg  Hg11  1  0.75000000  0.71620012  0.88351578  1.0

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