SrMg14W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026558 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14W

MP-ID

mp-1026558

Elements

Sites

Density

2.7209

g/cm³

Volume

373.33

Å³

Cell a

6.4656

Cell b

6.4656

Cell c

10.3119

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
8.57	10.3119	19.5	(0,0,0,1)
15.83	5.5994	60.8	(1,0,-1,0)
17.20	5.1559	17.5	(0,0,0,2)
18.03	4.9208	17.9	(1,0,-1,1)
23.45	3.7929	47.4	(1,0,-1,2)
27.59	3.2328	16.3	(2,-1,-1,0)
28.94	3.0848	4.0	(2,-1,-1,1)
30.52	2.9294	3.6	(1,0,-1,3)
31.97	2.7997	21.2	(2,0,-2,0)
31.97	2.7997	10.6	(0,2,-2,0)
32.70	2.7390	20.7	(2,-1,-1,2)
33.16	2.7019	3.0	(2,0,-2,1)
34.80	2.5780	22.9	(0,0,0,4)
36.52	2.4604	100.0	(2,0,-2,2)
38.22	2.3549	4.3	(2,-1,-1,3)
38.44	2.3417	8.9	(1,0,-1,4)
38.44	2.3417	4.5	(0,1,-1,4)
41.60	2.1708	4.0	(2,0,-2,3)
42.72	2.1164	6.4	(3,-1,-2,0)
42.72	2.1164	3.2	(1,2,-3,0)
43.66	2.0732	4.0	(3,-1,-2,1)
43.90	2.0624	1.1	(0,0,0,5)
44.98	2.0156	9.4	(2,-1,-1,4)
46.38	1.9579	17.0	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

0.21220

eV/atom

Energy/atom

-7.59303

eV/atom

Energy above Hull

0.2357

eV/atom

Uncorrected Energy

-2.1013

eV/atom

Volume/atom

23.33

Å³

c/a Ratio

1.5949

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9653

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002590

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

3.3422

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.968%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2741

smaller = more stable mixing

VEC

2.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.273

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.665

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkpa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026558

Reference Citation

The crystal structure and related material properties of SrMg14W were obtained from the Materials Project database (MP-ID: mp-1026558, 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_SrMg14W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46564311
_cell_length_b   6.46564257
_cell_length_c   10.31186921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14W
_chemical_formula_sum   'Sr1 Mg14 W1'
_cell_volume   373.32875056
_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  0.17858693  0.83929297  0.12500000  1.0
  Mg  Mg2  1  0.16060413  0.83030156  0.62500000  1.0
  Mg  Mg3  1  0.66070703  0.32141307  0.12500000  1.0
  Mg  Mg4  1  0.66969844  0.33939587  0.62500000  1.0
  Mg  Mg5  1  0.66070703  0.83929297  0.12500000  1.0
  Mg  Mg6  1  0.66969844  0.83030156  0.62500000  1.0
  Mg  Mg7  1  0.33093340  0.16906660  0.39818552  1.0
  Mg  Mg8  1  0.33093340  0.16906660  0.85181448  1.0
  Mg  Mg9  1  0.33093340  0.66186781  0.39818552  1.0
  Mg  Mg10  1  0.33093340  0.66186781  0.85181448  1.0
  Mg  Mg11  1  0.83813219  0.16906660  0.39818552  1.0
  Mg  Mg12  1  0.83813219  0.16906660  0.85181448  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36707645  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88292355  1.0
  W  W15  1  0.16666700  0.33333300  0.62500000  1.0

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