MgGa

Traditional Materials TRA

MP-ID: mp-1094850 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

MgGa

MP-ID

mp-1094850

Elements

Sites

Density

4.0707

g/cm³

Volume

38.36

Å³

Cell a

3.1519

Cell b

3.1519

Cell c

4.4583

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

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
19.92	4.4583	38.0	(0,0,0,1)
32.81	2.7296	41.3	(1,0,-1,0)
32.81	2.7296	20.6	(1,-1,0,0)
38.68	2.3279	100.0	(1,0,-1,1)
38.68	2.3279	50.0	(1,-1,0,1)
40.47	2.2291	27.2	(0,0,0,2)
53.04	1.7266	20.5	(1,0,-1,2)
53.04	1.7265	10.3	(1,-1,0,2)
58.57	1.5760	8.8	(1,1,-2,0)
58.57	1.5759	17.6	(2,-1,-1,0)
62.50	1.4861	1.7	(0,0,0,3)
62.51	1.4859	3.4	(1,1,-2,1)
62.51	1.4858	6.8	(2,-1,-1,1)
68.78	1.3648	4.6	(2,0,-2,0)
68.79	1.3648	2.3	(2,-2,0,0)
72.41	1.3052	14.7	(1,0,-1,3)
72.41	1.3052	7.4	(1,-1,0,3)
72.42	1.3050	14.7	(2,0,-2,1)
72.42	1.3050	7.4	(2,-2,0,1)
73.61	1.2868	8.7	(1,1,-2,2)
73.61	1.2868	17.3	(2,-1,-1,2)
82.95	1.1640	5.4	(2,0,-2,2)
82.95	1.1640	2.7	(2,-2,0,2)
87.53	1.1146	2.7	(0,0,0,4)

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Energy Properties

Formation Energy/atom

-0.07841

eV/atom

Energy/atom

-2.40769

eV/atom

Energy above Hull

0.0548

eV/atom

Uncorrected Energy

-7.8668

eV/atom

Volume/atom

19.18

Å³

c/a Ratio

1.4145

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.753

Family

Mg-based Alloy

Matrix Element

Mg · 0.500

Related Tasks

Related computation task IDs (2)

aaadripv aaaelxkh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1094850

Reference Citation

The crystal structure and related material properties of MgGa were obtained from the Materials Project database (MP-ID: mp-1094850, 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_MgGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15186908
_cell_length_b   3.15186908
_cell_length_c   4.45824937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99914212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa
_chemical_formula_sum   'Mg1 Ga1'
_cell_volume   38.35615648
_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  0.00000144  -0.00000146  -0.00000000  1.0
  Ga  Ga1  1  0.66666556  0.33333446  0.50000000  1.0

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