SrMg14Ga

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026574 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14Ga

MP-ID

mp-1026574

Elements

Sites

Density

2.1346

g/cm³

Volume

387.11

Å³

Cell a

6.5068

Cell b

6.5068

Cell c

10.5576

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
15.73	5.6351	32.3	(1,0,-1,0)
16.80	5.2788	10.2	(0,0,0,2)
23.09	3.8525	28.9	(1,0,-1,2)
27.41	3.2534	9.3	(2,-1,-1,0)
29.94	2.9849	1.5	(1,0,-1,3)
31.76	2.8175	40.2	(2,0,-2,0)
32.32	2.7697	4.0	(2,-1,-1,2)
32.32	2.7697	8.0	(1,1,-2,2)
33.97	2.6394	37.8	(0,0,0,4)
36.14	2.4856	100.0	(2,0,-2,2)
36.14	2.4856	50.0	(0,2,-2,2)
37.63	2.3902	7.5	(1,0,-1,4)
42.44	2.1299	6.1	(3,-1,-2,0)
44.19	2.0497	5.4	(2,-1,-1,4)
45.95	1.9752	5.7	(3,-1,-2,2)
45.95	1.9752	2.8	(1,2,-3,2)
47.18	1.9262	17.0	(2,0,-2,4)
47.18	1.9262	8.5	(0,2,-2,4)
48.46	1.8784	1.9	(3,0,-3,0)
51.65	1.7697	2.1	(3,0,-3,2)
51.65	1.7697	1.0	(0,3,-3,2)
54.29	1.6897	1.0	(2,0,-2,5)
54.64	1.6796	2.9	(1,0,-1,6)
55.43	1.6575	5.3	(3,-1,-2,4)

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Energy Properties

Formation Energy/atom

0.05095

eV/atom

Energy/atom

-1.67075

eV/atom

Energy above Hull

0.1050

eV/atom

Uncorrected Energy

-1.6708

eV/atom

Volume/atom

24.19

Å³

c/a Ratio

1.6225

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0013

μB

Mag. Ordering

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 · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

1.3095

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.304%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1538

smaller = more stable mixing

VEC

2.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.625

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.753

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkpq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026574

Reference Citation

The crystal structure and related material properties of SrMg14Ga were obtained from the Materials Project database (MP-ID: mp-1026574, 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_SrMg14Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50683776
_cell_length_b   6.50683722
_cell_length_c   10.55758487
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Ga
_chemical_formula_sum   'Sr1 Mg14 Ga1'
_cell_volume   387.11065136
_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  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17972339  0.83986119  0.12500000  1.0
  Mg  Mg2  1  0.16125195  0.83062547  0.62500000  1.0
  Mg  Mg3  1  0.66013881  0.32027661  0.12500000  1.0
  Mg  Mg4  1  0.66937453  0.33874805  0.62500000  1.0
  Mg  Mg5  1  0.66013881  0.83986119  0.12500000  1.0
  Mg  Mg6  1  0.66937453  0.83062547  0.62500000  1.0
  Mg  Mg7  1  0.33486178  0.16513822  0.39029697  1.0
  Mg  Mg8  1  0.33486178  0.16513822  0.85970303  1.0
  Mg  Mg9  1  0.33486178  0.66972455  0.39029697  1.0
  Mg  Mg10  1  0.33486178  0.66972455  0.85970303  1.0
  Mg  Mg11  1  0.83027545  0.16513822  0.39029697  1.0
  Mg  Mg12  1  0.83027545  0.16513822  0.85970303  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36816581  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88183419  1.0
  Ga  Ga15  1  0.16666700  0.33333300  0.62500000  1.0

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