SrMg14Ti

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026443 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14Ti

MP-ID

mp-1026443

Elements

Sites

Density

2.0512

g/cm³

Volume

385.14

Å³

Cell a

6.5626

Cell b

6.5626

Cell c

10.3264

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
8.56	10.3264	1.6	(0,0,0,1)
15.59	5.6833	9.9	(1,0,-1,0)
15.59	5.6833	5.0	(0,1,-1,0)
17.17	5.1632	4.4	(0,0,0,2)
17.81	4.9791	4.0	(1,0,-1,1)
23.28	3.8216	12.6	(1,0,-1,2)
25.88	3.4421	1.2	(0,0,0,3)
27.18	3.2813	4.1	(2,-1,-1,0)
28.54	3.1272	2.2	(2,-1,-1,1)
30.36	2.9442	2.4	(1,0,-1,3)
31.48	2.8417	26.4	(2,0,-2,0)
32.33	2.7694	1.7	(2,-1,-1,2)
32.33	2.7694	3.4	(1,1,-2,2)
32.68	2.7398	1.1	(2,0,-2,1)
34.75	2.5816	23.8	(0,0,0,4)
36.08	2.4895	100.0	(2,0,-2,2)
38.29	2.3505	3.0	(1,0,-1,4)
42.06	2.1481	1.8	(3,-1,-2,0)
43.01	2.1031	1.1	(3,-1,-2,1)
44.66	2.0289	2.2	(2,-1,-1,4)
45.75	1.9833	3.6	(3,-1,-2,2)
47.59	1.9108	15.7	(2,0,-2,4)
50.05	1.8224	1.2	(3,-1,-2,3)
51.38	1.7785	1.3	(3,0,-3,2)

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Energy Properties

Formation Energy/atom

0.12633

eV/atom

Energy/atom

-1.89958

eV/atom

Energy above Hull

0.1408

eV/atom

Uncorrected Energy

-1.8996

eV/atom

Volume/atom

24.07

Å³

c/a Ratio

1.5735

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.6191

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004200

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

1.2512

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.419%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1065

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.063

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.729

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkkp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026443

Reference Citation

The crystal structure and related material properties of SrMg14Ti were obtained from the Materials Project database (MP-ID: mp-1026443, 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_SrMg14Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56254804
_cell_length_b   6.56254747
_cell_length_c   10.32638393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Ti
_chemical_formula_sum   'Sr1 Mg14 Ti1'
_cell_volume   385.14462439
_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
  Mg  Mg1  1  0.16679080  0.83339490  0.12500000  1.0
  Mg  Mg2  1  0.17647724  0.83823812  0.62500000  1.0
  Mg  Mg3  1  0.66660510  0.33320920  0.12500000  1.0
  Mg  Mg4  1  0.66176188  0.32352276  0.62500000  1.0
  Mg  Mg5  1  0.66660510  0.83339490  0.12500000  1.0
  Mg  Mg6  1  0.66176188  0.83823812  0.62500000  1.0
  Mg  Mg7  1  0.33465796  0.16534204  0.36096977  1.0
  Mg  Mg8  1  0.33465796  0.16534204  0.88903023  1.0
  Mg  Mg9  1  0.33465796  0.66931692  0.36096977  1.0
  Mg  Mg10  1  0.33465796  0.66931692  0.88903023  1.0
  Mg  Mg11  1  0.83068308  0.16534204  0.36096977  1.0
  Mg  Mg12  1  0.83068308  0.16534204  0.88903023  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37992118  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87007882  1.0
  Ti  Ti15  1  0.16666700  0.33333300  0.12500000  1.0

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