SrMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026587 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14Cr

MP-ID

mp-1026587

Elements

Sites

Density

2.0908

g/cm³

Volume

381.14

Å³

Cell a

6.4952

Cell b

6.4952

Cell c

10.4321

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
8.48	10.4321	1.1	(0,0,0,1)
15.75	5.6250	16.3	(1,0,-1,0)
17.00	5.2160	5.1	(0,0,0,2)
17.92	4.9511	2.7	(1,0,-1,1)
23.26	3.8247	14.5	(1,0,-1,2)
25.62	3.4774	1.0	(0,0,0,3)
27.46	3.2476	4.6	(2,-1,-1,0)
28.79	3.1008	1.1	(1,1,-2,1)
30.22	2.9578	1.9	(1,0,-1,3)
31.82	2.8125	17.6	(2,0,-2,0)
31.82	2.8125	8.8	(0,2,-2,0)
32.48	2.7569	1.9	(2,-1,-1,2)
32.48	2.7569	3.9	(1,1,-2,2)
32.99	2.7155	1.1	(2,0,-2,1)
34.39	2.6080	24.8	(0,0,0,4)
36.29	2.4756	100.0	(2,0,-2,2)
38.03	2.3661	3.5	(1,0,-1,4)
42.52	2.1260	2.0	(2,1,-3,0)
44.56	2.0335	2.5	(2,-1,-1,4)
46.10	1.9688	1.3	(3,-1,-2,2)
46.10	1.9688	2.6	(2,1,-3,2)
47.55	1.9124	10.8	(2,0,-2,4)
47.55	1.9124	5.4	(0,2,-2,4)
51.81	1.7645	1.5	(3,0,-3,2)

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Energy Properties

Formation Energy/atom

0.15034

eV/atom

Energy/atom

-1.98541

eV/atom

Energy above Hull

0.1648

eV/atom

Uncorrected Energy

-1.9854

eV/atom

Volume/atom

23.82

Å³

c/a Ratio

1.6061

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.2365

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011120

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

1.7305

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.973%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1255

smaller = more stable mixing

VEC

2.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.248

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.713

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkqd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026587

Reference Citation

The crystal structure and related material properties of SrMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026587, 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_SrMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49515145
_cell_length_b   6.49515090
_cell_length_c   10.43206652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Cr
_chemical_formula_sum   'Sr1 Mg14 Cr1'
_cell_volume   381.13558180
_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  0.12500000  1.0
  Mg  Mg1  1  0.17499349  0.83749625  0.12500000  1.0
  Mg  Mg2  1  0.16569036  0.83284468  0.62500000  1.0
  Mg  Mg3  1  0.66250375  0.32500651  0.12500000  1.0
  Mg  Mg4  1  0.66715532  0.33430964  0.62500000  1.0
  Mg  Mg5  1  0.66250375  0.83749625  0.12500000  1.0
  Mg  Mg6  1  0.66715532  0.83284468  0.62500000  1.0
  Mg  Mg7  1  0.33502658  0.16497342  0.38889926  1.0
  Mg  Mg8  1  0.33502658  0.16497342  0.86110074  1.0
  Mg  Mg9  1  0.33502658  0.67005415  0.38889926  1.0
  Mg  Mg10  1  0.33502658  0.67005415  0.86110074  1.0
  Mg  Mg11  1  0.82994585  0.16497342  0.38889926  1.0
  Mg  Mg12  1  0.82994585  0.16497342  0.86110074  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36914207  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88085793  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.62500000  1.0

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