SrMg6Cu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1022148 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrMg6Cu

MP-ID

mp-1022148

Elements

Sites

Density

2.4911

g/cm³

Volume

395.94

Å³

Cell a

4.8860

Cell b

6.3166

Cell c

12.8290

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
13.81	6.4145	3.8	(0,0,2)
15.64	5.6669	58.8	(0,1,1)
22.88	3.8869	37.0	(1,0,2)
24.05	3.7005	22.1	(1,1,1)
25.15	3.5412	1.4	(0,1,3)
27.82	3.2073	8.4	(0,0,4)
28.26	3.1583	9.6	(0,2,0)
31.19	2.8673	57.6	(1,1,3)
31.58	2.8335	35.0	(0,2,2)
33.42	2.6812	52.4	(1,0,4)
36.66	2.4511	100.0	(1,2,2)
36.79	2.4430	41.3	(2,0,0)
37.85	2.3772	23.7	(0,1,5)
40.07	2.2504	5.7	(0,2,4)
40.20	2.2434	11.4	(2,1,1)
42.27	2.1382	5.9	(0,0,6)
42.28	2.1376	5.3	(1,1,5)
43.56	2.0777	4.6	(0,3,1)
44.32	2.0440	9.8	(1,2,4)
46.74	1.9434	3.9	(2,0,4)
47.03	1.9324	4.7	(2,2,0)
47.56	1.9120	3.3	(1,3,1)
49.25	1.8502	19.4	(2,2,2)
51.62	1.7706	6.3	(0,2,6)

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Energy Properties

Formation Energy/atom

0.08032

eV/atom

Energy/atom

-6.29572

eV/atom

Energy above Hull

0.1556

eV/atom

Uncorrected Energy

-1.8552

eV/atom

Volume/atom

24.75

Å³

c/a Ratio

2.6257

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0028

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

1.6199

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.232%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2427

smaller = more stable mixing

VEC

3.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.750

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.685

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaacgein

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1022148

Reference Citation

The crystal structure and related material properties of SrMg6Cu were obtained from the Materials Project database (MP-ID: mp-1022148, 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_SrMg6Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88602500
_cell_length_b   6.31660800
_cell_length_c   12.82903900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg6Cu
_chemical_formula_sum   'Sr2 Mg12 Cu2'
_cell_volume   395.94397262
_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  0.00000000  0.70287100  1.0
  Sr  Sr1  1  0.50000000  0.50000000  0.20287100  1.0
  Mg  Mg2  1  0.00000000  0.25137500  0.55560700  1.0
  Mg  Mg3  1  0.00000000  0.74862500  0.55560700  1.0
  Mg  Mg4  1  0.00000000  0.50000000  0.80904200  1.0
  Mg  Mg5  1  0.50000000  0.74907400  0.92683500  1.0
  Mg  Mg6  1  0.50000000  0.25092600  0.92683500  1.0
  Mg  Mg7  1  0.50000000  0.50000000  0.64325500  1.0
  Mg  Mg8  1  0.00000000  0.75137500  0.05560700  1.0
  Mg  Mg9  1  0.00000000  0.24862500  0.05560700  1.0
  Mg  Mg10  1  0.00000000  0.00000000  0.30904200  1.0
  Mg  Mg11  1  0.50000000  0.24907400  0.42683500  1.0
  Mg  Mg12  1  0.50000000  0.75092600  0.42683500  1.0
  Mg  Mg13  1  0.50000000  0.00000000  0.14325500  1.0
  Cu  Cu14  1  0.00000000  0.00000000  0.87994700  1.0
  Cu  Cu15  1  0.00000000  0.50000000  0.37994700  1.0

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