KSrMg14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026844 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

KSrMg14

MP-ID

mp-1026844

Elements

Sites

Density

1.8252

g/cm³

Volume

424.86

Å³

Cell a

6.8314

Cell b

6.8314

Cell c

10.5121

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
8.41	10.5121	5.5	(0,0,0,1)
14.97	5.9162	9.5	(1,0,-1,0)
16.87	5.2561	3.4	(0,0,0,2)
17.20	5.1557	6.6	(1,0,-1,1)
22.63	3.9293	14.0	(1,0,-1,2)
26.09	3.4157	3.9	(2,-1,-1,0)
27.46	3.2485	2.3	(2,-1,-1,1)
29.63	3.0149	1.9	(1,0,-1,3)
30.21	2.9581	26.3	(2,0,-2,0)
31.23	2.8641	4.3	(2,-1,-1,2)
31.42	2.8475	1.1	(2,0,-2,1)
34.12	2.6280	23.6	(0,0,0,4)
34.80	2.5779	100.0	(2,0,-2,2)
36.74	2.4459	1.1	(2,-1,-1,3)
37.44	2.4017	2.0	(1,0,-1,4)
40.33	2.2361	1.4	(3,-1,-2,0)
40.33	2.2361	2.7	(2,1,-3,0)
41.28	2.1872	1.7	(3,-1,-2,1)
43.45	2.0829	1.9	(2,-1,-1,4)
44.01	2.0576	1.6	(3,-1,-2,2)
46.21	1.9647	15.5	(2,0,-2,4)
49.36	1.8464	1.3	(3,0,-3,2)
53.67	1.7079	5.9	(4,-2,-2,0)
53.67	1.7079	11.7	(2,2,-4,0)

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Energy Properties

Formation Energy/atom

0.10951

eV/atom

Energy/atom

-4.86138

eV/atom

Energy above Hull

0.1330

eV/atom

Uncorrected Energy

-1.4635

eV/atom

Volume/atom

26.55

Å³

c/a Ratio

1.5388

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0177

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.171%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1424

smaller = more stable mixing

VEC

1.938

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.694

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacglaa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026844

Reference Citation

The crystal structure and related material properties of KSrMg14 were obtained from the Materials Project database (MP-ID: mp-1026844, 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_KSrMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83141056
_cell_length_b   6.83140993
_cell_length_c   10.51214215
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000306
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrMg14
_chemical_formula_sum   'K1 Sr1 Mg14'
_cell_volume   424.85680288
_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
  K  K0  1  0.16666700  0.33333300  0.12500000  1.0
  Sr  Sr1  1  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg2  1  0.17310320  0.83655110  0.12500000  1.0
  Mg  Mg3  1  0.17771842  0.83885871  0.62500000  1.0
  Mg  Mg4  1  0.66344890  0.32689680  0.12500000  1.0
  Mg  Mg5  1  0.66114129  0.32228158  0.62500000  1.0
  Mg  Mg6  1  0.66344890  0.83655110  0.12500000  1.0
  Mg  Mg7  1  0.66114129  0.83885871  0.62500000  1.0
  Mg  Mg8  1  0.34485071  0.15514929  0.37574719  1.0
  Mg  Mg9  1  0.34485071  0.15514929  0.87425281  1.0
  Mg  Mg10  1  0.34485071  0.68970242  0.37574719  1.0
  Mg  Mg11  1  0.34485071  0.68970242  0.87425281  1.0
  Mg  Mg12  1  0.81029758  0.15514929  0.37574719  1.0
  Mg  Mg13  1  0.81029758  0.15514929  0.87425281  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.37600847  1.0
  Mg  Mg15  1  0.83333300  0.66666700  0.87399153  1.0

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