SrMg6Ga

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1016442 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrMg6Ga

MP-ID

mp-1016442

Elements

Sites

Density

2.4280

g/cm³

Volume

207.34

Å³

Cell a

7.4164

Cell b

7.4164

Cell c

4.9827

α Angle

90.00

β Angle

90.00

γ Angle

130.84

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
13.13	6.7444	40.0	(1,-1,0)
15.79	5.6108	13.5	(1,0,0)
17.80	4.9827	29.6	(0,0,1)
22.18	4.0076	26.1	(1,-1,1)
23.88	3.7257	8.8	(1,0,1)
24.50	3.6338	17.0	(2,-1,0)
26.43	3.3722	7.9	(2,-2,0)
28.94	3.0850	9.4	(1,1,0)
30.45	2.9359	58.3	(2,-1,1)
31.90	2.8054	36.8	(2,0,0)
32.05	2.7927	47.9	(2,-2,1)
34.19	2.6229	12.2	(1,1,1)
36.05	2.4913	43.1	(0,0,2)
36.35	2.4718	30.7	(3,-2,0)
36.77	2.4446	100.0	(2,0,1)
38.52	2.3370	6.0	(1,-1,2)
39.58	2.2770	2.7	(1,0,2)
39.59	2.2762	2.5	(3,-1,0)
40.11	2.2481	1.5	(3,-3,0)
40.75	2.2143	18.9	(3,-2,1)
43.72	2.0704	1.7	(3,-1,1)
44.07	2.0548	7.1	(2,-1,2)
44.57	2.0332	1.3	(2,1,0)
45.25	2.0038	3.6	(2,-2,2)

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Energy Properties

Formation Energy/atom

0.01205

eV/atom

Energy/atom

-1.80086

eV/atom

Energy above Hull

0.1202

eV/atom

Uncorrected Energy

-1.8009

eV/atom

Volume/atom

25.92

Å³

c/a Ratio

0.6718

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0296

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000140

μB/Å³

Elastic Properties

K_VRH

29.542

GPa

G_VRH

19.932

GPa

Young's Modulus E

48.817

GPa

Poisson Ratio ν

0.225

Pugh Ratio K/G

1.482

Vickers Hardness Est.

4.267

GPa

Ductility

Ductile

Anisotropy

-2.835

Lame λ

16.254

GPa

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

0.709

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-2.8350

Homogeneous Poisson ν

0.2250

Debye Temperature

357.4

Sound Velocity

3,171.6

m/s

Homogeneity

0.2250

Related Tasks

Related computation task IDs (1)

aaadbwkq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016442

Reference Citation

The crystal structure and related material properties of SrMg6Ga were obtained from the Materials Project database (MP-ID: mp-1016442, 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   7.41642943
_cell_length_b   7.41642943
_cell_length_c   4.98268600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.83989944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg6Ga
_chemical_formula_sum   'Sr1 Mg6 Ga1'
_cell_volume   207.34094018
_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
  Sr  Sr0  1  0.80038200  0.19961800  0.50000000  1.0
  Mg  Mg1  1  0.30655400  0.17748100  0.50000000  1.0
  Mg  Mg2  1  0.82251900  0.69344600  0.50000000  1.0
  Mg  Mg3  1  0.18100400  0.32757200  0.00000000  1.0
  Mg  Mg4  1  0.67242800  0.81899600  0.00000000  1.0
  Mg  Mg5  1  0.63098500  0.36901500  0.00000000  1.0
  Mg  Mg6  1  0.20382700  0.79617300  0.00000000  1.0
  Ga  Ga7  1  0.38230200  0.61769800  0.50000000  1.0

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