Ag3Hg

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-985443 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Ag3Hg

MP-ID

mp-985443

Elements

Sites

Density

11.8152

g/cm³

Volume

73.67

Å³

Cell a

4.1921

Cell b

4.1921

Cell c

4.1921

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 13)

2θ	d (Å)	I	hkl
21.19	4.1921	7.6	(1,0,0)
30.15	2.9643	6.8	(1,1,0)
37.15	2.4203	100.0	(1,1,1)
43.16	2.0961	48.9	(2,0,0)
48.56	1.8748	4.1	(2,1,0)
53.55	1.7114	3.1	(2,1,1)
62.68	1.4821	31.3	(2,2,0)
66.97	1.3974	2.1	(2,2,1)
71.12	1.3257	1.5	(3,1,0)
75.17	1.2640	36.7	(3,1,1)
79.14	1.2102	10.7	(2,2,2)
83.07	1.1627	1.0	(3,2,0)
86.96	1.1204	1.9	(3,2,1)

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Energy Properties

Formation Energy/atom

0.03182

eV/atom

Energy/atom

-28.32703

eV/atom

Energy above Hull

0.0318

eV/atom

Uncorrected Energy

-28.3270

eV/atom

Volume/atom

18.42

Å³

c/a Ratio

1.0000

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

79.370

GPa

G_VRH

22.963

GPa

Young's Modulus E

62.830

GPa

Poisson Ratio ν

0.368

Pugh Ratio K/G

3.456

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

1.823

Lame λ

64.061

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.785

Family

Binary Alloy

Matrix Element

Ag · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.8230

Homogeneous Poisson ν

0.3680

Debye Temperature

177.1

Sound Velocity

1,571.2

m/s

Homogeneity

0.3680

Related Tasks

Related computation task IDs (5)

aaadntyh aaadwnzn aaaelbmy aaaesjmk aaafxfkh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-985443

Reference Citation

The crystal structure and related material properties of Ag3Hg were obtained from the Materials Project database (MP-ID: mp-985443, 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_Ag3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19211433
_cell_length_b   4.19211433
_cell_length_c   4.19211433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Hg
_chemical_formula_sum   'Ag3 Hg1'
_cell_volume   73.67147337
_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
  Ag  Ag0  1  0.50000000  0.00000000  0.50000000  1.0
  Ag  Ag1  1  0.00000000  0.50000000  0.50000000  1.0
  Ag  Ag2  1  0.50000000  0.50000000  -0.00000000  1.0
  Hg  Hg3  1  0.00000000  0.00000000  0.00000000  1.0

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