SrGa3Ag

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202578 · Space group: I-4m2 (#119)

Materials Project API

Basic Information

Formula

SrGa3Ag

MP-ID

mp-3202578

Elements

Sites

Density

6.3494

g/cm³

Volume

105.83

Å³

Cell a

6.2854

Cell b

6.2854

Cell c

6.2854

α Angle

139.00

β Angle

139.00

γ Angle

59.38

Space Group

I-4m2

Point Group

-42m

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

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
16.23	5.4603	19.8	(1,1,-1)
21.77	4.0831	11.8	(1,0,-1)
28.68	3.1130	1.8	(1,-1,0)
28.68	3.1130	1.8	(0,0,1)
31.90	2.8054	72.2	(2,1,-2)
32.80	2.7302	9.0	(2,2,-2)
33.13	2.7044	86.1	(2,0,-1)
33.13	2.7044	86.1	(1,1,-2)
41.00	2.2012	100.0	(1,-1,1)
44.12	2.0526	26.4	(3,1,-2)
44.12	2.0526	26.4	(2,2,-3)
44.37	2.0416	3.0	(0,2,-2)
44.37	2.0416	3.0	(2,0,-2)
46.41	1.9566	18.9	(2,3,-3)
46.41	1.9566	18.9	(3,2,-3)
46.89	1.9376	1.4	(2,-1,0)
46.89	1.9376	1.4	(1,0,-2)
50.12	1.8201	3.2	(3,3,-3)
52.87	1.7318	8.4	(3,0,-1)
52.87	1.7318	25.2	(3,0,-2)
53.47	1.7136	8.5	(3,1,-3)
58.77	1.5713	19.5	(4,2,-3)
59.38	1.5565	16.2	(2,-2,0)
59.38	1.5565	16.2	(0,0,2)

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Energy Properties

Formation Energy/atom

-0.42324

eV/atom

Energy/atom

-14.58921

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.5892

eV/atom

Volume/atom

21.17

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Ga · 0.600

Element Family

PostTransition-Noble

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

0.7335

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.916%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3590

smaller = more stable mixing

VEC

4.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.880

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.534

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.600

Related Tasks

Related computation task IDs (1)

aaahafoc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202578

Reference Citation

The crystal structure and related material properties of SrGa3Ag were obtained from the Materials Project database (MP-ID: mp-3202578, 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_SrGa3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28536082
_cell_length_b   6.28536078
_cell_length_c   6.28536051
_cell_angle_alpha   138.99930829
_cell_angle_beta   138.99930268
_cell_angle_gamma   59.37591653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa3Ag
_chemical_formula_sum   'Sr1 Ga3 Ag1'
_cell_volume   105.82856609
_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  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga1  1  0.61647120  0.61647120  0.00000000  1.0
  Ga  Ga2  1  0.38352880  0.38352880  1.00000000  1.0
  Ga  Ga3  1  0.75000000  0.25000000  0.50000000  1.0
  Ag  Ag4  1  0.25000000  0.75000000  0.50000000  1.0

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