Navigation

HEAS Data Platform · Materials Science Database

Mg3Ag

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-864952 · Space group: P6_3/mmc (#194)

Basic Information

Formula
Mg3Ag
MP-ID
mp-864952
Elements
2
Sites
8
Density
3.8010
g/cm³
Volume
157.96
ų
Cell a
6.1117
Å
Cell b
6.1117
Å
Cell c
4.8830
Å
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
Hexagonal P
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 24)
2θd (Å)Ihkl
16.75 5.2930 24.3 (1,-1,0,0)
16.75 5.2929 48.6 (1,0,-1,0)
24.81 3.5890 50.0 (1,-1,0,1)
24.81 3.5890 100.0 (1,0,-1,1)
29.22 3.0559 23.1 (1,-2,1,0)
29.22 3.0559 23.1 (2,-1,-1,0)
29.22 3.0558 23.1 (1,1,-2,0)
33.87 2.6465 18.6 (2,-2,0,0)
33.87 2.6464 18.6 (0,2,-2,0)
33.87 2.6464 18.6 (2,0,-2,0)
36.81 2.4415 59.0 (0,0,0,2)
38.70 2.3267 76.5 (2,-2,0,1)
38.70 2.3267 76.5 (0,2,-2,1)
38.70 2.3267 76.5 (2,0,-2,1)
40.70 2.2170 5.2 (1,-1,0,2)
40.70 2.2170 10.4 (1,0,-1,2)
45.33 2.0005 2.6 (3,-2,-1,0)
45.33 2.0005 2.6 (3,-1,-2,0)
45.33 2.0005 2.6 (2,1,-3,0)
47.68 1.9075 23.0 (2,-1,-1,2)
47.68 1.9074 5.7 (1,1,-2,2)
47.68 1.9074 5.7 (1,1,-2,-2)
49.22 1.8512 16.8 (3,-2,-1,1)
49.22 1.8512 8.4 (1,-3,2,1)
Get direct link

Energy Properties

Formation Energy/atom
-0.09354
eV/atom
Energy/atom
-2.02712
eV/atom
Energy above Hull
0.0217
eV/atom
Uncorrected Energy
-8.5659
eV/atom
Volume/atom
19.74
ų
c/a Ratio
0.7989

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
47.879
GPa
GVRH
33.169
GPa
Young's Modulus E
80.839
GPa
Poisson Ratio ν
0.219
Pugh Ratio K/G
1.443
Vickers Hardness Est.
7.096
GPa
Ductility
Ductile
Anisotropy
0.131
Lame λ
25.766
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.917
Family
Mg-based Alloy
Matrix Element
Mg · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1310
Homogeneous Poisson ν
0.2190
Debye Temperature
359.9
K
Sound Velocity
3,267.8
m/s
Homogeneity
0.2190

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-864952
Reference Citation

The crystal structure and related material properties of Mg3Ag were obtained from the Materials Project database (MP-ID: mp-864952, 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_Mg3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11173590
_cell_length_b   6.11173671
_cell_length_c   4.88295597
_cell_angle_alpha   89.99999830
_cell_angle_beta   89.99999979
_cell_angle_gamma   120.00109611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ag
_chemical_formula_sum   'Mg6 Ag2'
_cell_volume   157.95662997
_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
  Mg  Mg0  1  0.17123731  0.34249462  0.24999844  1.0
  Mg  Mg1  1  0.17125562  0.82874463  0.24999849  1.0
  Mg  Mg2  1  0.65750444  0.82876233  0.24999843  1.0
  Mg  Mg3  1  0.34249479  0.17123751  0.74999890  1.0
  Mg  Mg4  1  0.82874516  0.17125516  0.74999881  1.0
  Mg  Mg5  1  0.82876250  0.65750456  0.74999888  1.0
  Ag  Ag6  1  0.66666670  0.33333347  0.24999759  1.0
  Ag  Ag7  1  0.33333348  0.66666573  0.74999846  1.0
Get direct link