SrMg6Ga

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1016332 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrMg6Ga

MP-ID

mp-1016332

Elements

Sites

Density

2.4844

g/cm³

Volume

405.27

Å³

Cell a

5.0687

Cell b

6.8436

Cell c

11.6832

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
15.00	5.9051	47.3	(0,1,1)
15.17	5.8416	4.9	(0,0,2)
23.13	3.8461	16.2	(1,1,1)
23.23	3.8284	21.7	(1,0,2)
26.04	3.4218	9.6	(0,2,0)
30.27	2.9526	27.0	(0,2,2)
30.61	2.9208	11.1	(0,0,4)
31.79	2.8148	21.3	(1,1,3)
35.18	2.5513	100.0	(1,2,2)
35.42	2.5344	34.1	(2,0,0)
35.47	2.5307	51.2	(1,0,4)
38.66	2.3289	9.4	(2,1,1)
38.73	2.3250	1.0	(2,0,2)
40.28	2.2389	5.1	(0,3,1)
40.61	2.2215	3.1	(0,2,4)
40.81	2.2113	5.6	(0,1,5)
44.22	2.0480	1.5	(1,3,1)
44.49	2.0366	4.6	(2,2,0)
44.53	2.0347	5.6	(1,2,4)
44.71	2.0268	1.8	(1,1,5)
46.65	1.9472	2.3	(0,0,6)
47.27	1.9231	15.2	(2,2,2)
47.50	1.9142	6.4	(2,0,4)
49.69	1.8349	8.2	(1,3,3)

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Energy Properties

Formation Energy/atom

0.03092

eV/atom

Energy/atom

-1.78199

eV/atom

Energy above Hull

0.1390

eV/atom

Uncorrected Energy

-1.7820

eV/atom

Volume/atom

25.33

Å³

c/a Ratio

2.3050

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0061

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7356

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1160

J/mol·K

Ω Parameter

1.1707

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.237%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2171

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.696

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaacfvqz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016332

Reference Citation

The crystal structure and related material properties of SrMg6Ga were obtained from the Materials Project database (MP-ID: mp-1016332, 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_SrMg6Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06870900
_cell_length_b   6.84361700
_cell_length_c   11.68317600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg6Ga
_chemical_formula_sum   'Sr2 Mg12 Ga2'
_cell_volume   405.26955003
_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
  Sr  Sr0  1  0.00000000  0.50000000  0.32679800  1.0
  Sr  Sr1  1  0.00000000  0.00000000  0.82679800  1.0
  Mg  Mg2  1  0.00000000  0.26154400  0.07963500  1.0
  Mg  Mg3  1  0.00000000  0.73845600  0.07963500  1.0
  Mg  Mg4  1  0.00000000  0.50000000  0.83694600  1.0
  Mg  Mg5  1  0.50000000  0.27376400  0.92692300  1.0
  Mg  Mg6  1  0.50000000  0.72623600  0.92692300  1.0
  Mg  Mg7  1  0.50000000  0.50000000  0.66688500  1.0
  Mg  Mg8  1  0.00000000  0.76154400  0.57963500  1.0
  Mg  Mg9  1  0.00000000  0.23845600  0.57963500  1.0
  Mg  Mg10  1  0.00000000  0.00000000  0.33694600  1.0
  Mg  Mg11  1  0.50000000  0.77376400  0.42692300  1.0
  Mg  Mg12  1  0.50000000  0.22623600  0.42692300  1.0
  Mg  Mg13  1  0.50000000  0.00000000  0.16688500  1.0
  Ga  Ga14  1  0.50000000  0.50000000  0.15625400  1.0
  Ga  Ga15  1  0.50000000  0.00000000  0.65625400  1.0

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