MgGa2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30651 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MgGa2

MP-ID

mp-30651

Elements

Sites

Density

4.9338

g/cm³

Volume

110.22

Å³

Cell a

4.2910

Cell b

4.2910

Cell c

6.9125

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

Stability

Packing Fraction

0.7405

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
23.95	3.7161	14.4	(1,0,-1,0)
23.95	3.7161	28.7	(1,-1,0,0)
25.78	3.4563	45.1	(0,0,0,2)
27.25	3.2731	45.0	(1,0,-1,1)
35.47	2.5308	100.0	(1,0,-1,2)
42.12	2.1455	85.3	(2,-1,-1,0)
42.12	2.1455	42.6	(1,-2,1,0)
46.37	1.9583	70.4	(1,0,-1,3)
49.03	1.8581	2.1	(2,0,-2,0)
49.03	1.8581	4.2	(2,-2,0,0)
50.04	1.8228	43.7	(2,-1,-1,2)
50.89	1.7944	7.8	(2,0,-2,1)
52.99	1.7281	3.2	(0,0,0,4)
56.21	1.6366	8.5	(2,0,-2,2)
56.21	1.6366	17.0	(2,-2,0,2)
64.42	1.4464	8.5	(2,0,-2,3)
64.42	1.4464	16.9	(2,-2,0,3)
66.58	1.4046	3.3	(3,-1,-2,0)
66.58	1.4046	1.6	(2,-3,1,0)
68.12	1.3764	2.1	(3,-1,-2,1)
68.12	1.3764	4.2	(3,-2,-1,1)
69.89	1.3458	5.4	(2,-1,-1,4)
69.89	1.3458	2.7	(1,-2,1,4)
72.66	1.3012	7.6	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

-0.11458

eV/atom

Energy/atom

-2.67680

eV/atom

Energy above Hull

0.0050

eV/atom

Uncorrected Energy

-9.1678

eV/atom

Volume/atom

18.37

Å³

c/a Ratio

1.6109

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

49.454

GPa

G_VRH

17.471

GPa

Young's Modulus E

46.891

GPa

Poisson Ratio ν

0.342

Pugh Ratio K/G

2.831

Vickers Hardness Est.

0.156

GPa

Ductility

Brittle

Anisotropy

3.140

Lame λ

37.807

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 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

0.699

Family

Binary Alloy

Matrix Element

Ga · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

3.1400

Homogeneous Poisson ν

0.3420

Debye Temperature

238.4

Sound Velocity

2,113.4

m/s

Homogeneity

0.3420

Related Tasks

Related computation task IDs (3)

aaacawrx aaadsztl aaaelhbe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30651

Reference Citation

The crystal structure and related material properties of MgGa2 were obtained from the Materials Project database (MP-ID: mp-30651, 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_MgGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29098547
_cell_length_b   4.29098492
_cell_length_c   6.91250255
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999657
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2
_chemical_formula_sum   'Mg2 Ga4'
_cell_volume   110.22496862
_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  0.00000000  -0.00000000  0.75000000  1.0
  Mg  Mg1  1  -0.00000000  0.00000000  0.25000000  1.0
  Ga  Ga2  1  0.66666700  0.33333300  0.55101586  1.0
  Ga  Ga3  1  0.33333300  0.66666700  0.05101586  1.0
  Ga  Ga4  1  0.66666700  0.33333300  0.94898414  1.0
  Ga  Ga5  1  0.33333300  0.66666700  0.44898414  1.0

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