SrLaMg6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1021158 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrLaMg6

MP-ID

mp-1021158

Elements

Sites

Density

2.6533

g/cm³

Volume

466.07

Å³

Cell a

5.3928

Cell b

7.4500

Cell c

11.6005

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
14.13	6.2686	8.4	(0,1,1)
15.28	5.8003	34.5	(0,0,2)
16.44	5.3928	33.3	(1,0,0)
21.74	4.0882	4.7	(1,1,1)
22.51	3.9495	36.6	(1,0,2)
23.89	3.7250	14.0	(0,2,0)
25.96	3.4321	1.8	(0,1,3)
28.48	3.1343	31.1	(0,2,2)
29.14	3.0649	17.1	(1,2,0)
30.83	2.9001	18.2	(0,0,4)
30.88	2.8954	2.9	(1,1,3)
33.06	2.7099	100.0	(1,2,2)
33.23	2.6964	29.2	(2,0,0)
35.13	2.5542	33.7	(1,0,4)
36.27	2.4770	1.7	(2,1,1)
36.76	2.4451	8.2	(2,0,2)
39.37	2.2884	10.3	(0,2,4)
40.75	2.2142	1.3	(1,3,1)
41.34	2.1842	6.7	(2,2,0)
42.93	2.1066	8.5	(1,2,4)
44.20	2.0490	1.1	(1,1,5)
44.31	2.0441	18.5	(2,2,2)
45.96	1.9748	11.9	(2,0,4)
47.00	1.9334	1.8	(0,0,6)

Get direct link

Energy Properties

Formation Energy/atom

0.08245

eV/atom

Energy/atom

-1.96895

eV/atom

Energy above Hull

0.1664

eV/atom

Uncorrected Energy

-1.9690

eV/atom

Volume/atom

29.13

Å³

c/a Ratio

2.1511

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0052

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 · 0.750

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

0.9914

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.615%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1290

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.678

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaacgcsk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1021158

Reference Citation

The crystal structure and related material properties of SrLaMg6 were obtained from the Materials Project database (MP-ID: mp-1021158, 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_SrLaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39282600
_cell_length_b   7.44995900
_cell_length_c   11.60051500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaMg6
_chemical_formula_sum   'Sr2 La2 Mg12'
_cell_volume   466.06614890
_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  0.50000000  0.50000000  0.83796700  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.33796700  1.0
  La  La2  1  0.50000000  0.50000000  0.34526800  1.0
  La  La3  1  0.50000000  0.00000000  0.84526800  1.0
  Mg  Mg4  1  0.50000000  0.25503200  0.08440400  1.0
  Mg  Mg5  1  0.50000000  0.74496800  0.08440400  1.0
  Mg  Mg6  1  0.00000000  0.24395100  0.92293700  1.0
  Mg  Mg7  1  0.00000000  0.75604900  0.92293700  1.0
  Mg  Mg8  1  0.00000000  0.50000000  0.15649900  1.0
  Mg  Mg9  1  0.00000000  0.50000000  0.64558900  1.0
  Mg  Mg10  1  0.50000000  0.75503200  0.58440400  1.0
  Mg  Mg11  1  0.50000000  0.24496800  0.58440400  1.0
  Mg  Mg12  1  0.00000000  0.74395100  0.42293700  1.0
  Mg  Mg13  1  0.00000000  0.25604900  0.42293700  1.0
  Mg  Mg14  1  0.00000000  0.00000000  0.65649900  1.0
  Mg  Mg15  1  0.00000000  0.00000000  0.14558900  1.0

Get direct link