SrMg14Cu

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1026891 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrMg14Cu

MP-ID

mp-1026891

Elements

Sites

Density

2.1628

g/cm³

Volume

377.32

Å³

Cell a

6.5771

Cell b

6.2935

Cell c

10.3806

α Angle

90.00

β Angle

90.00

γ Angle

118.58

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
8.52	10.3806	74.4	(0,0,1)
15.34	5.7755	20.5	(1,0,0)
16.04	5.5265	3.2	(1,-1,0)
17.08	5.1903	18.7	(0,0,2)
17.57	5.0469	28.4	(1,0,1)
18.19	4.8782	1.5	(1,-1,1)
23.04	3.8605	15.1	(1,0,2)
23.51	3.7834	2.5	(1,-1,2)
25.75	3.4602	6.7	(0,0,3)
27.15	3.2844	2.3	(2,-1,0)
28.36	3.1468	5.2	(1,-2,0)
28.50	3.1314	8.1	(2,-1,1)
29.67	3.0114	10.7	(1,-2,1)
30.11	2.9683	10.1	(1,0,3)
30.48	2.9328	9.2	(1,-1,3)
30.97	2.8878	14.3	(2,0,0)
32.17	2.7821	4.3	(2,0,1)
32.25	2.7754	3.9	(2,-1,2)
32.25	2.7754	3.9	(1,1,2)
32.40	2.7632	28.4	(2,-2,0)
32.40	2.7632	28.4	(0,2,0)
33.30	2.6908	7.4	(1,-2,2)
33.56	2.6702	12.1	(2,-2,1)
34.56	2.5952	67.2	(0,0,4)

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Energy Properties

Formation Energy/atom

0.05586

eV/atom

Energy/atom

-5.21681

eV/atom

Energy above Hull

0.0957

eV/atom

Uncorrected Energy

-1.7098

eV/atom

Volume/atom

23.58

Å³

c/a Ratio

1.5783

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

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

1.6875

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.973%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1722

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.188

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacglbv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026891

Reference Citation

The crystal structure and related material properties of SrMg14Cu were obtained from the Materials Project database (MP-ID: mp-1026891, 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_SrMg14Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57711171
_cell_length_b   6.29349819
_cell_length_c   10.38061218
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.58352891
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Cu
_chemical_formula_sum   'Sr1 Mg14 Cu1'
_cell_volume   377.31531826
_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  0.12450493  0.81225197  0.12500000  1.0
  Mg  Mg1  1  0.16240890  0.33120395  0.62500000  1.0
  Mg  Mg2  1  0.16925652  0.83462776  0.62500000  1.0
  Mg  Mg3  1  0.62043656  0.32096292  0.12500000  1.0
  Mg  Mg4  1  0.66586377  0.32788286  0.62500000  1.0
  Mg  Mg5  1  0.62043656  0.79947264  0.12500000  1.0
  Mg  Mg6  1  0.66586377  0.83797991  0.62500000  1.0
  Mg  Mg7  1  0.34449497  0.17729607  0.38147731  1.0
  Mg  Mg8  1  0.34449497  0.17729607  0.86852269  1.0
  Mg  Mg9  1  0.34449497  0.66719990  0.38147731  1.0
  Mg  Mg10  1  0.34449497  0.66719990  0.86852269  1.0
  Mg  Mg11  1  0.86449486  0.18224793  0.34439023  1.0
  Mg  Mg12  1  0.86449486  0.18224793  0.90560977  1.0
  Mg  Mg13  1  0.82628827  0.66314464  0.39260977  1.0
  Mg  Mg14  1  0.82628827  0.66314464  0.85739023  1.0
  Cu  Cu15  1  0.21168284  0.35584092  0.12500000  1.0

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