SrMg6W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1016318 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrMg6W

MP-ID

mp-1016318

Elements

Sites

Density

3.6881

g/cm³

Volume

375.76

Å³

Cell a

5.1302

Cell b

6.4732

Cell c

11.3152

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
15.66	5.6576	21.6	(0,0,2)
15.77	5.6187	100.0	(0,1,1)
17.29	5.1302	9.0	(1,0,0)
23.41	3.8004	43.0	(1,0,2)
23.48	3.7886	38.3	(1,1,1)
27.37	3.2589	6.7	(0,1,3)
27.56	3.2366	17.2	(0,2,0)
31.63	2.8288	16.3	(0,0,4)
31.85	2.8094	21.4	(0,2,2)
32.55	2.7508	42.4	(1,1,3)
32.72	2.7374	3.8	(1,2,0)
34.98	2.5651	34.5	(2,0,0)
36.26	2.4772	40.8	(1,0,4)
36.46	2.4641	96.9	(1,2,2)
38.54	2.3362	4.9	(2,0,2)
38.58	2.3334	22.5	(2,1,1)
42.31	2.1363	10.2	(0,1,5)
42.44	2.1299	5.8	(0,2,4)
42.66	2.1195	7.2	(0,3,1)
44.97	2.0156	3.6	(2,1,3)
45.10	2.0103	9.2	(2,2,0)
46.02	1.9721	5.4	(1,1,5)
46.15	1.9671	12.8	(1,2,4)
46.35	1.9589	8.3	(1,3,1)

Get direct link

Energy Properties

Formation Energy/atom

0.43047

eV/atom

Energy/atom

-11.01069

eV/atom

Energy above Hull

0.4750

eV/atom

Uncorrected Energy

-2.5987

eV/atom

Volume/atom

23.49

Å³

c/a Ratio

2.2056

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.3688

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003640

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 (1)

aaacfvph

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016318

Reference Citation

The crystal structure and related material properties of SrMg6W were obtained from the Materials Project database (MP-ID: mp-1016318, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_SrMg6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13018200
_cell_length_b   6.47320000
_cell_length_c   11.31523000
_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   'Sr2 Mg12 W2'
_cell_volume   375.76401199
_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  0.33026000  1.0
  Sr  Sr1  1  0.00000000  0.00000000  0.83026000  1.0
  Mg  Mg2  1  0.00000000  0.27146100  0.08695700  1.0
  Mg  Mg3  1  0.00000000  0.72853900  0.08695700  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.33249600  1.0
  Mg  Mg5  1  0.50000000  0.76475000  0.42335000  1.0
  Mg  Mg6  1  0.50000000  0.23525000  0.42335000  1.0
  Mg  Mg7  1  0.50000000  0.00000000  0.16390500  1.0
  Mg  Mg8  1  0.00000000  0.77146100  0.58695700  1.0
  Mg  Mg9  1  0.00000000  0.22853900  0.58695700  1.0
  Mg  Mg10  1  0.00000000  0.50000000  0.83249600  1.0
  Mg  Mg11  1  0.50000000  0.26475000  0.92335000  1.0
  Mg  Mg12  1  0.50000000  0.73525000  0.92335000  1.0
  Mg  Mg13  1  0.50000000  0.50000000  0.66390500  1.0
  W  W14  1  0.50000000  0.50000000  0.15272500  1.0
  W  W15  1  0.50000000  0.00000000  0.65272500  1.0

Get direct link