SrMg14Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028382 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrMg14Ni

MP-ID

mp-1028382

Elements

Sites

Density

2.1680

g/cm³

Volume

372.68

Å³

Cell a

6.5547

Cell b

6.2240

Cell c

10.3797

α Angle

90.00

β Angle

90.00

γ Angle

118.34

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	10.3797	76.0	(0,0,1)
15.36	5.7689	21.1	(1,0,0)
16.18	5.4778	3.4	(1,-1,0)
17.09	5.1899	18.5	(0,0,2)
17.59	5.0424	27.3	(1,0,1)
18.31	4.8445	1.2	(1,-1,1)
23.05	3.8583	13.0	(1,0,2)
23.62	3.7675	2.7	(1,-1,2)
25.75	3.4599	5.1	(0,0,3)
27.26	3.2717	1.8	(2,-1,0)
28.61	3.1204	7.9	(2,-1,1)
28.69	3.1120	4.7	(1,-2,0)
29.98	2.9809	10.0	(1,-2,1)
30.12	2.9672	9.4	(1,0,3)
30.56	2.9253	11.9	(1,-1,3)
31.00	2.8844	11.2	(2,0,0)
32.21	2.7791	3.8	(2,0,1)
32.35	2.7677	3.7	(2,-1,2)
32.35	2.7677	3.7	(1,1,2)
32.70	2.7389	57.5	(2,-2,0)
33.58	2.6689	7.2	(1,-2,2)
33.85	2.6482	10.9	(2,-2,1)
34.57	2.5949	63.3	(0,0,4)
35.61	2.5212	100.0	(2,0,2)

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Energy Properties

Formation Energy/atom

0.08236

eV/atom

Energy/atom

-1.81134

eV/atom

Energy above Hull

0.1256

eV/atom

Uncorrected Energy

-1.8113

eV/atom

Volume/atom

23.29

Å³

c/a Ratio

1.5836

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

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

0.8641

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.394%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1743

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.375

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.739

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnhe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028382

Reference Citation

The crystal structure and related material properties of SrMg14Ni were obtained from the Materials Project database (MP-ID: mp-1028382, 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_SrMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55469775
_cell_length_b   6.22396199
_cell_length_c   10.37971513
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.34445227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Ni
_chemical_formula_sum   'Sr1 Mg14 Ni1'
_cell_volume   372.68475981
_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  0.12338754  0.81169327  0.12500000  1.0
  Mg  Mg1  1  0.15730075  0.32864988  0.62500000  1.0
  Mg  Mg2  1  0.16917630  0.83458765  0.62500000  1.0
  Mg  Mg3  1  0.61334632  0.32104679  0.12500000  1.0
  Mg  Mg4  1  0.66266349  0.32675454  0.62500000  1.0
  Mg  Mg5  1  0.61334632  0.79229853  0.12500000  1.0
  Mg  Mg6  1  0.66266349  0.83590795  0.62500000  1.0
  Mg  Mg7  1  0.34535199  0.17871672  0.37958145  1.0
  Mg  Mg8  1  0.34535199  0.17871672  0.87041855  1.0
  Mg  Mg9  1  0.34535199  0.66663627  0.37958145  1.0
  Mg  Mg10  1  0.34535199  0.66663627  0.87041855  1.0
  Mg  Mg11  1  0.87409508  0.18704804  0.33487742  1.0
  Mg  Mg12  1  0.87409508  0.18704804  0.91512258  1.0
  Mg  Mg13  1  0.83036032  0.66518066  0.39451860  1.0
  Mg  Mg14  1  0.83036032  0.66518066  0.85548140  1.0
  Ni  Ni15  1  0.20779704  0.35389802  0.12500000  1.0

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