SrMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028394 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14Co

MP-ID

mp-1028394

Elements

Sites

Density

2.1683

g/cm³

Volume

372.82

Å³

Cell a

6.4254

Cell b

6.4254

Cell c

10.4273

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
15.93	5.5645	22.1	(1,0,-1,0)
17.01	5.2137	6.9	(0,0,0,2)
23.38	3.8046	15.2	(1,0,-1,2)
25.63	3.4758	1.9	(0,0,0,3)
27.77	3.2127	5.5	(2,-1,-1,0)
29.08	3.0703	1.4	(2,-1,-1,1)
30.32	2.9479	3.1	(1,0,-1,3)
32.17	2.7823	27.1	(2,0,-2,0)
32.74	2.7351	6.7	(2,-1,-1,2)
33.33	2.6882	1.2	(2,0,-2,1)
34.40	2.6068	23.4	(0,0,0,4)
36.61	2.4546	100.0	(2,0,-2,2)
38.12	2.3606	4.6	(1,0,-1,4)
43.01	2.1032	2.6	(3,-1,-2,0)
44.77	2.0243	3.5	(2,-1,-1,4)
46.56	1.9505	6.3	(3,-1,-2,2)
47.81	1.9023	16.6	(2,0,-2,4)
49.12	1.8548	1.1	(3,0,-3,0)
52.30	1.7492	1.3	(2,-1,-1,5)
52.35	1.7475	1.1	(3,0,-3,2)
55.03	1.6687	2.0	(2,0,-2,5)
55.39	1.6589	1.8	(1,0,-1,6)
56.19	1.6369	1.5	(3,-1,-2,4)
57.36	1.6063	17.4	(4,-2,-2,0)

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Energy Properties

Formation Energy/atom

0.13311

eV/atom

Energy/atom

-5.28878

eV/atom

Energy above Hull

0.1566

eV/atom

Uncorrected Energy

-1.8179

eV/atom

Volume/atom

23.30

Å³

c/a Ratio

1.6228

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0682

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000180

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

0.5797

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.286%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1680

smaller = more stable mixing

VEC

2.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.539

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.718

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnhq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028394

Reference Citation

The crystal structure and related material properties of SrMg14Co were obtained from the Materials Project database (MP-ID: mp-1028394, 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_SrMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42535690
_cell_length_b   6.42535637
_cell_length_c   10.42731954
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Co
_chemical_formula_sum   'Sr1 Mg14 Co1'
_cell_volume   372.81877736
_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  0.15647505  0.82823703  0.12500000  1.0
  Mg  Mg2  1  0.17797268  0.83898584  0.62500000  1.0
  Mg  Mg3  1  0.67176297  0.34352495  0.12500000  1.0
  Mg  Mg4  1  0.66101416  0.32202732  0.62500000  1.0
  Mg  Mg5  1  0.67176297  0.82823703  0.12500000  1.0
  Mg  Mg6  1  0.66101416  0.83898584  0.62500000  1.0
  Mg  Mg7  1  0.32875826  0.17124174  0.34788381  1.0
  Mg  Mg8  1  0.32875826  0.17124174  0.90211619  1.0
  Mg  Mg9  1  0.32875826  0.65751753  0.34788381  1.0
  Mg  Mg10  1  0.32875826  0.65751753  0.90211619  1.0
  Mg  Mg11  1  0.84248247  0.17124174  0.34788381  1.0
  Mg  Mg12  1  0.84248247  0.17124174  0.90211619  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38638530  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86361470  1.0
  Co  Co15  1  0.16666700  0.33333300  0.12500000  1.0

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