MgAg3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30351 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

MgAg3

MP-ID

mp-30351

Elements

Sites

Density

8.2707

g/cm³

Volume

69.85

Å³

Cell a

4.1184

Cell b

4.1184

Cell c

4.1184

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
21.58	4.1184	18.2	(1,0,0)
30.70	2.9121	15.2	(1,1,0)
37.84	2.3777	100.0	(1,1,1)
43.97	2.0592	48.2	(2,0,0)
49.49	1.8418	7.6	(2,1,0)
54.58	1.6813	5.6	(2,1,1)
63.94	1.4561	29.8	(2,2,0)
68.33	1.3728	3.5	(3,0,0)
72.59	1.3023	2.3	(3,1,0)
76.76	1.2417	34.6	(3,1,1)
80.85	1.1889	10.1	(2,2,2)
84.90	1.1422	1.6	(3,2,0)
88.92	1.1007	2.9	(3,2,1)

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Energy Properties

Formation Energy/atom

-0.13611

eV/atom

Energy/atom

-2.67593

eV/atom

Energy above Hull

0.0104

eV/atom

Uncorrected Energy

-17.1827

eV/atom

Volume/atom

17.46

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

77.693

GPa

G_VRH

17.218

GPa

Young's Modulus E

48.101

GPa

Poisson Ratio ν

0.397

Pugh Ratio K/G

4.512

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

11.688

Lame λ

66.214

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

0.879

Family

Binary Alloy

Matrix Element

Ag · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

11.6880

Homogeneous Poisson ν

0.3970

Debye Temperature

187.3

Sound Velocity

1,632.6

m/s

Homogeneity

0.3970

Related Tasks

Related computation task IDs (5)

aaacepio aaaekywt aaaenfps aaafapze aaafsctr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30351

Reference Citation

The crystal structure and related material properties of MgAg3 were obtained from the Materials Project database (MP-ID: mp-30351, 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_MgAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11836959
_cell_length_b   4.11836959
_cell_length_c   4.11836959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAg3
_chemical_formula_sum   'Mg1 Ag3'
_cell_volume   69.85153516
_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
  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0
  Ag  Ag1  1  0.50000000  0.50000000  0.00000000  1.0
  Ag  Ag2  1  0.50000000  0.00000000  0.50000000  1.0
  Ag  Ag3  1  -0.00000000  0.50000000  0.50000000  1.0

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