SrLaMg14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026763 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrLaMg14

MP-ID

mp-1026763

Elements

Sites

Density

2.2454

g/cm³

Volume

419.16

Å³

Cell a

6.8161

Cell b

6.8161

Cell c

10.4177

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
8.49	10.4177	4.1	(0,0,0,1)
15.01	5.9030	39.0	(1,0,-1,0)
17.02	5.2089	11.1	(0,0,0,2)
17.27	5.1358	3.4	(1,0,-1,1)
17.27	5.1358	1.7	(0,1,-1,1)
22.77	3.9057	37.8	(1,0,-1,2)
26.15	3.4081	12.3	(2,-1,-1,0)
27.54	3.2391	1.1	(1,1,-2,1)
29.85	2.9931	1.3	(1,0,-1,3)
30.28	2.9515	30.2	(2,0,-2,0)
31.37	2.8519	15.0	(2,-1,-1,2)
34.44	2.6044	22.6	(0,0,0,4)
34.94	2.5679	100.0	(2,0,-2,2)
37.75	2.3828	8.3	(1,0,-1,4)
40.43	2.2311	9.5	(3,-1,-2,0)
43.74	2.0694	6.2	(2,-1,-1,4)
44.16	2.0509	3.2	(3,-1,-2,2)
44.16	2.0509	6.3	(2,1,-3,2)
46.13	1.9677	2.6	(3,0,-3,0)
46.50	1.9528	18.0	(2,0,-2,4)
49.52	1.8407	4.6	(3,0,-3,2)
53.80	1.7040	17.9	(4,-2,-2,0)
54.13	1.6944	8.1	(3,-1,-2,4)
55.14	1.6657	2.3	(1,0,-1,6)

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Energy Properties

Formation Energy/atom

0.06158

eV/atom

Energy/atom

-1.77936

eV/atom

Energy above Hull

0.1036

eV/atom

Uncorrected Energy

-1.7794

eV/atom

Volume/atom

26.20

Å³

c/a Ratio

1.5284

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0190

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

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

1.0434

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.550%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0979

smaller = more stable mixing

VEC

2.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.753

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkwx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026763

Reference Citation

The crystal structure and related material properties of SrLaMg14 were obtained from the Materials Project database (MP-ID: mp-1026763, 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_SrLaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81614012
_cell_length_b   6.81613950
_cell_length_c   10.41770372
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaMg14
_chemical_formula_sum   'Sr1 La1 Mg14'
_cell_volume   419.15977641
_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
  La  La1  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg2  1  0.17428310  0.83714105  0.12500000  1.0
  Mg  Mg3  1  0.17431237  0.83715568  0.62500000  1.0
  Mg  Mg4  1  0.66285895  0.32571690  0.12500000  1.0
  Mg  Mg5  1  0.66284432  0.32568763  0.62500000  1.0
  Mg  Mg6  1  0.66285895  0.83714105  0.12500000  1.0
  Mg  Mg7  1  0.66284432  0.83715568  0.62500000  1.0
  Mg  Mg8  1  0.34186291  0.15813709  0.37276502  1.0
  Mg  Mg9  1  0.34186291  0.15813709  0.87723498  1.0
  Mg  Mg10  1  0.34186291  0.68372681  0.37276502  1.0
  Mg  Mg11  1  0.34186291  0.68372681  0.87723498  1.0
  Mg  Mg12  1  0.81627319  0.15813709  0.37276502  1.0
  Mg  Mg13  1  0.81627319  0.15813709  0.87723498  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.37399057  1.0
  Mg  Mg15  1  0.83333300  0.66666700  0.87600943  1.0

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