SrLiMg14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026818 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrLiMg14

MP-ID

mp-1026818

Elements

Sites

Density

1.8406

g/cm³

Volume

392.29

Å³

Cell a

6.6089

Cell b

6.6089

Cell c

10.3709

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
8.53	10.3709	16.8	(0,0,0,1)
15.48	5.7235	3.5	(1,0,-1,0)
17.10	5.1854	1.2	(0,0,0,2)
17.70	5.0110	24.6	(1,0,-1,1)
23.15	3.8428	4.0	(1,0,-1,2)
25.77	3.4570	3.1	(0,0,0,3)
26.98	3.3045	1.2	(2,-1,-1,0)
28.35	3.1485	3.1	(2,-1,-1,1)
28.35	3.1485	6.3	(1,1,-2,1)
30.20	2.9591	8.5	(1,0,-1,3)
31.26	2.8617	16.7	(2,0,-2,0)
31.26	2.8617	8.3	(0,2,-2,0)
32.12	2.7867	1.5	(2,-1,-1,2)
32.46	2.7586	4.4	(2,0,-2,1)
32.46	2.7586	2.2	(0,2,-2,1)
34.60	2.5927	24.1	(0,0,0,4)
35.84	2.5055	100.0	(2,0,-2,2)
37.66	2.3887	2.7	(2,-1,-1,3)
40.94	2.2044	2.4	(2,0,-2,3)
41.75	2.1633	1.1	(3,-1,-2,0)
42.70	2.1177	1.7	(3,-1,-2,1)
42.70	2.1177	3.4	(2,1,-3,1)
46.57	1.9501	1.7	(1,0,-1,5)
47.31	1.9214	15.0	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.04941

eV/atom

Energy/atom

-4.69451

eV/atom

Energy above Hull

0.0833

eV/atom

Uncorrected Energy

-1.5875

eV/atom

Volume/atom

24.52

Å³

c/a Ratio

1.5692

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0029

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

7.9399

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.173%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1142

smaller = more stable mixing

VEC

1.938

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.438

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.812

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkza

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026818

Reference Citation

The crystal structure and related material properties of SrLiMg14 were obtained from the Materials Project database (MP-ID: mp-1026818, 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_SrLiMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60889462
_cell_length_b   6.60889405
_cell_length_c   10.37087646
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiMg14
_chemical_formula_sum   'Sr1 Li1 Mg14'
_cell_volume   392.28680139
_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  0.62500000  1.0
  Li  Li1  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg2  1  0.16774602  0.83387251  0.12500000  1.0
  Mg  Mg3  1  0.17421868  0.83710884  0.62500000  1.0
  Mg  Mg4  1  0.66612749  0.33225398  0.12500000  1.0
  Mg  Mg5  1  0.66289116  0.32578132  0.62500000  1.0
  Mg  Mg6  1  0.66612749  0.83387251  0.12500000  1.0
  Mg  Mg7  1  0.66289116  0.83710884  0.62500000  1.0
  Mg  Mg8  1  0.33650997  0.16349003  0.36464522  1.0
  Mg  Mg9  1  0.33650997  0.16349003  0.88535478  1.0
  Mg  Mg10  1  0.33650997  0.67302095  0.36464522  1.0
  Mg  Mg11  1  0.33650997  0.67302095  0.88535478  1.0
  Mg  Mg12  1  0.82697905  0.16349003  0.36464522  1.0
  Mg  Mg13  1  0.82697905  0.16349003  0.88535478  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.37931591  1.0
  Mg  Mg15  1  0.83333300  0.66666700  0.87068409  1.0

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