SrMg14Sb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026561 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14Sb

MP-ID

mp-1026561

Elements

Sites

Density

2.3112

g/cm³

Volume

394.92

Å³

Cell a

6.5565

Cell b

6.5565

Cell c

10.6080

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
8.34	10.6080	4.2	(0,0,0,1)
15.61	5.6781	54.0	(1,0,-1,0)
16.71	5.3040	16.5	(0,0,0,2)
17.72	5.0061	4.2	(1,0,-1,1)
22.94	3.8760	49.4	(1,0,-1,2)
27.20	3.2783	15.6	(2,-1,-1,0)
31.51	2.8391	42.9	(2,0,-2,0)
32.10	2.7886	20.2	(2,-1,-1,2)
33.80	2.6520	38.1	(0,0,0,4)
35.88	2.5030	100.0	(2,0,-2,2)
35.88	2.5030	50.0	(0,2,-2,2)
37.41	2.4040	1.0	(2,-1,-1,3)
37.43	2.4028	12.7	(1,0,-1,4)
42.10	2.1461	10.5	(3,-1,-2,0)
43.91	2.0618	2.8	(2,-1,-1,4)
43.91	2.0618	5.7	(1,1,-2,4)
45.60	1.9894	13.7	(3,-1,-2,2)
46.88	1.9380	27.6	(2,0,-2,4)
48.07	1.8927	3.2	(3,0,-3,0)
51.25	1.7826	3.6	(3,0,-3,2)
51.25	1.7826	1.8	(0,3,-3,2)
54.35	1.6881	4.7	(1,0,-1,6)
55.05	1.6683	3.2	(3,-1,-2,4)
55.05	1.6683	6.3	(2,1,-3,4)

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Energy Properties

Formation Energy/atom

0.02932

eV/atom

Energy/atom

-1.76119

eV/atom

Energy above Hull

0.1784

eV/atom

Uncorrected Energy

-1.7492

eV/atom

Volume/atom

24.68

Å³

c/a Ratio

1.6179

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0035

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 · 0.875

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

0.5854

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.539%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2044

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.119

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.704

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkpd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026561

Reference Citation

The crystal structure and related material properties of SrMg14Sb were obtained from the Materials Project database (MP-ID: mp-1026561, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_SrMg14Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55649401
_cell_length_b   6.55649346
_cell_length_c   10.60797819
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Sb
_chemical_formula_sum   'Sr1 Mg14 Sb1'
_cell_volume   394.91764475
_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  0.17380856  0.83690378  0.12500000  1.0
  Mg  Mg2  1  0.16198567  0.83099233  0.62500000  1.0
  Mg  Mg3  1  0.66309622  0.32619144  0.12500000  1.0
  Mg  Mg4  1  0.66900767  0.33801433  0.62500000  1.0
  Mg  Mg5  1  0.66309622  0.83690378  0.12500000  1.0
  Mg  Mg6  1  0.66900767  0.83099233  0.62500000  1.0
  Mg  Mg7  1  0.33683569  0.16316431  0.38187922  1.0
  Mg  Mg8  1  0.33683569  0.16316431  0.86812078  1.0
  Mg  Mg9  1  0.33683569  0.67367237  0.38187922  1.0
  Mg  Mg10  1  0.33683569  0.67367237  0.86812078  1.0
  Mg  Mg11  1  0.82632763  0.16316431  0.38187922  1.0
  Mg  Mg12  1  0.82632763  0.16316431  0.86812078  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36993554  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88006446  1.0
  Sb  Sb15  1  0.16666700  0.33333300  0.62500000  1.0

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