Navigation

HEAS Data Platform · Materials Science Database

Mg2Ga

Traditional Materials TRA

MP-ID: mp-1094619 · Space group: C2/m (#12)

Basic Information

Formula
Mg2Ga
MP-ID
mp-1094619
Elements
2
Sites
6
Density
3.1670
g/cm³
Volume
124.09
ų
Cell a
5.8699
Å
Cell b
5.8699
Å
Cell c
7.6350
Å
α Angle
70.45
°
β Angle
70.45
°
γ Angle
30.19
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.36 7.1619 58.4 (0,0,1)
16.68 5.3162 45.9 (1,1,0)
16.98 5.2216 1.4 (1,1,1)
24.06 3.6991 24.8 (1,1,-1)
24.70 3.6047 28.4 (1,1,2)
24.86 3.5810 2.6 (0,0,2)
30.42 2.9382 4.7 (1,0,0)
31.58 2.8327 10.5 (2,2,1)
31.79 2.8146 28.5 (1,0,1)
34.07 2.6313 52.1 (1,0,-1)
34.35 2.6108 91.0 (2,2,2)
34.72 2.5840 17.7 (1,1,-2)
35.48 2.5299 7.2 (1,1,3)
37.68 2.3873 58.6 (0,0,3)
37.70 2.3863 95.9 (1,0,2)
38.05 2.3650 15.7 (2,1,1)
38.90 2.3150 100.0 (2,1,0)
40.06 2.2506 44.8 (2,2,-1)
41.15 2.1938 1.6 (2,2,3)
41.58 2.1718 21.6 (1,0,-2)
46.81 1.9409 2.0 (1,1,-3)
47.65 1.9086 4.3 (1,1,4)
48.16 1.8893 25.4 (2,1,3)
48.45 1.8787 4.4 (3,3,1)
Get direct link

Energy Properties

Formation Energy/atom
-0.04376
eV/atom
Energy/atom
-2.14011
eV/atom
Energy above Hull
0.0729
eV/atom
Uncorrected Energy
-2.1401
eV/atom
Volume/atom
20.68
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0050
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų

Elastic Properties

Elastic data not available

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
A
Score
0.819
Family
Mg-based Alloy
Matrix Element
Mg · 0.667

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1094619
Reference Citation

The crystal structure and related material properties of Mg2Ga were obtained from the Materials Project database (MP-ID: mp-1094619, 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_Mg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86988943
_cell_length_b   5.86988943
_cell_length_c   7.63495058
_cell_angle_alpha   70.45389599
_cell_angle_beta   70.45389599
_cell_angle_gamma   30.18977563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ga
_chemical_formula_sum   'Mg4 Ga2'
_cell_volume   124.09102104
_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  0.14245700  0.14245700  0.96269100  1.0
  Mg  Mg1  1  0.53263600  0.53263600  0.68045000  1.0
  Mg  Mg2  1  0.46736400  0.46736400  0.31955000  1.0
  Mg  Mg3  1  0.85754300  0.85754300  0.03730900  1.0
  Ga  Ga4  1  0.80791600  0.80791600  0.64727300  1.0
  Ga  Ga5  1  0.19208400  0.19208400  0.35272700  1.0
Get direct link