Mg14SnSb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026621 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14SnSb

MP-ID

mp-1026621

Elements

Sites

Density

2.6259

g/cm³

Volume

367.25

Å³

Cell a

6.3914

Cell b

6.3914

Cell c

10.3811

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
16.01	5.5351	47.6	(1,0,-1,0)
17.08	5.1905	14.1	(0,0,0,2)
23.50	3.7862	41.6	(1,0,-1,2)
27.92	3.1957	13.3	(2,-1,-1,0)
32.35	2.7675	19.9	(2,0,-2,0)
32.35	2.7675	9.9	(0,2,-2,0)
32.91	2.7213	17.4	(2,-1,-1,2)
34.56	2.5953	25.6	(0,0,0,4)
36.80	2.4421	100.0	(2,0,-2,2)
38.30	2.3498	11.4	(1,0,-1,4)
43.25	2.0921	8.7	(3,-1,-2,0)
45.00	2.0146	2.5	(2,-1,-1,4)
45.00	2.0146	5.0	(1,1,-2,4)
46.82	1.9404	12.6	(3,-1,-2,2)
48.06	1.8931	19.5	(2,0,-2,4)
49.40	1.8450	1.9	(3,0,-3,0)
52.65	1.7385	4.7	(3,0,-3,2)
55.66	1.6514	4.1	(1,0,-1,6)
56.50	1.6288	8.0	(3,-1,-2,4)
57.69	1.5978	5.6	(4,-2,-2,0)
57.69	1.5978	11.3	(2,2,-4,0)
60.29	1.5352	3.1	(4,-1,-3,0)
60.64	1.5271	3.1	(4,-2,-2,2)
60.89	1.5215	3.1	(2,-1,-1,6)

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Energy Properties

Formation Energy/atom

-0.03718

eV/atom

Energy/atom

-1.97250

eV/atom

Energy above Hull

0.0611

eV/atom

Uncorrected Energy

-1.9605

eV/atom

Volume/atom

22.95

Å³

c/a Ratio

1.6242

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

0.3576

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.592%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2304

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.650

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.822

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkrl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026621

Reference Citation

The crystal structure and related material properties of Mg14SnSb were obtained from the Materials Project database (MP-ID: mp-1026621, 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_Mg14SnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39136211
_cell_length_b   6.39136159
_cell_length_c   10.38105905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14SnSb
_chemical_formula_sum   'Mg14 Sn1 Sb1'
_cell_volume   367.24770737
_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
  Mg  Mg0  1  0.16627812  0.83313856  0.12500000  1.0
  Mg  Mg1  1  0.16550092  0.83274996  0.62500000  1.0
  Mg  Mg2  1  0.66686144  0.33372188  0.12500000  1.0
  Mg  Mg3  1  0.66725004  0.33449908  0.62500000  1.0
  Mg  Mg4  1  0.66686144  0.83313856  0.12500000  1.0
  Mg  Mg5  1  0.66725004  0.83274996  0.62500000  1.0
  Mg  Mg6  1  0.33550940  0.16449060  0.37505064  1.0
  Mg  Mg7  1  0.33550940  0.16449060  0.87494936  1.0
  Mg  Mg8  1  0.33550940  0.67101980  0.37505064  1.0
  Mg  Mg9  1  0.33550940  0.67101980  0.87494936  1.0
  Mg  Mg10  1  0.82898020  0.16449060  0.37505064  1.0
  Mg  Mg11  1  0.82898020  0.16449060  0.87494936  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37568375  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87431625  1.0
  Sn  Sn14  1  0.16666700  0.33333300  0.12500000  1.0
  Sb  Sb15  1  0.16666700  0.33333300  0.62500000  1.0

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