SrMg6W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1016330 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

SrMg6W

MP-ID

mp-1016330

Elements

Sites

Density

3.7254

g/cm³

Volume

186.00

Å³

Cell a

6.4896

Cell b

6.4896

Cell c

4.4165

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
13.64	6.4896	33.4	(1,0,0)
19.34	4.5888	58.2	(1,1,0)
20.11	4.4165	25.5	(0,0,1)
24.38	3.6512	6.8	(1,0,1)
27.49	3.2448	26.2	(2,0,0)
28.04	3.1821	44.2	(1,1,1)
30.81	2.9022	4.0	(2,1,0)
34.29	2.6149	100.0	(2,0,1)
37.07	2.4254	11.7	(2,1,1)
39.27	2.2944	33.1	(2,2,0)
40.87	2.2083	16.0	(0,0,2)
43.28	2.0905	4.0	(1,0,2)
44.13	2.0522	12.2	(3,1,0)
44.50	2.0361	15.4	(2,2,1)
45.59	1.9898	13.0	(1,1,2)
46.76	1.9427	5.7	(3,0,1)
48.94	1.8611	22.6	(3,1,1)
49.96	1.8256	10.3	(2,0,2)
50.72	1.7999	4.2	(3,2,0)
52.04	1.7574	2.0	(2,1,2)
56.74	1.6224	10.3	(4,0,0)
57.96	1.5911	20.9	(2,2,2)
58.65	1.5740	1.5	(4,1,0)
60.53	1.5296	3.6	(3,3,0)

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Energy Properties

Formation Energy/atom

0.30488

eV/atom

Energy/atom

-11.13628

eV/atom

Energy above Hull

0.3494

eV/atom

Uncorrected Energy

-2.7243

eV/atom

Volume/atom

23.25

Å³

c/a Ratio

0.6806

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0038

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

3.6027

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.728%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3828

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.182

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.589

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (2)

aaacfvty aaadbwbk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016330

Reference Citation

The crystal structure and related material properties of SrMg6W were obtained from the Materials Project database (MP-ID: mp-1016330, 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_SrMg6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48960200
_cell_length_b   6.48960200
_cell_length_c   4.41649700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg6W
_chemical_formula_sum   'Sr1 Mg6 W1'
_cell_volume   186.00048019
_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  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg1  1  0.50000000  0.00000000  0.50000000  1.0
  Mg  Mg2  1  0.00000000  0.50000000  0.50000000  1.0
  Mg  Mg3  1  0.21739600  0.78260400  0.00000000  1.0
  Mg  Mg4  1  0.78260400  0.21739600  0.00000000  1.0
  Mg  Mg5  1  0.21739600  0.21739600  0.00000000  1.0
  Mg  Mg6  1  0.78260400  0.78260400  0.00000000  1.0
  W  W7  1  0.00000000  0.00000000  0.50000000  1.0

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