Mg14SbC

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026411 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14SbC

MP-ID

mp-1026411

Elements

Sites

Density

2.3088

g/cm³

Volume

340.95

Å³

Cell a

6.2818

Cell b

6.2818

Cell c

9.9768

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
8.86	9.9768	21.1	(0,0,0,1)
16.29	5.4402	16.4	(1,0,-1,0)
17.78	4.9884	4.5	(0,0,0,2)
18.58	4.7763	36.6	(1,0,-1,1)
24.21	3.6767	10.6	(1,0,-1,2)
26.81	3.3256	6.4	(0,0,0,3)
28.42	3.1409	1.3	(2,-1,-1,0)
28.42	3.1409	2.6	(1,1,-2,0)
29.82	2.9959	14.1	(2,-1,-1,1)
31.53	2.8374	13.6	(1,0,-1,3)
32.93	2.7201	26.5	(2,0,-2,0)
33.72	2.6579	1.5	(2,-1,-1,2)
33.72	2.6579	3.1	(1,1,-2,2)
34.17	2.6243	10.7	(2,0,-2,1)
36.01	2.4942	23.6	(0,0,0,4)
37.67	2.3881	100.0	(2,0,-2,2)
39.46	2.2835	1.4	(2,-1,-1,3)
39.46	2.2835	2.8	(1,1,-2,3)
39.76	2.2673	3.1	(1,0,-1,4)
42.96	2.1055	3.6	(2,0,-2,3)
44.04	2.0562	1.2	(3,-1,-2,0)
45.02	2.0139	5.4	(3,-1,-2,1)
45.02	2.0139	2.7	(1,2,-3,1)
46.49	1.9532	2.2	(2,-1,-1,4)

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Energy Properties

Formation Energy/atom

0.27982

eV/atom

Energy/atom

-1.98184

eV/atom

Energy above Hull

0.3467

eV/atom

Uncorrected Energy

-1.9818

eV/atom

Volume/atom

21.31

Å³

c/a Ratio

1.5882

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

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

0.063

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

0.3009

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.113%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3391

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.124

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.663

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkjj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026411

Reference Citation

The crystal structure and related material properties of Mg14SbC were obtained from the Materials Project database (MP-ID: mp-1026411, 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_Mg14SbC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28179561
_cell_length_b   6.28179511
_cell_length_c   9.97677311
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000260
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14SbC
_chemical_formula_sum   'Mg14 Sb1 C1'
_cell_volume   340.94810779
_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  0.15842109  0.82921004  0.12500000  1.0
  Mg  Mg1  1  0.16941008  0.83470454  0.62500000  1.0
  Mg  Mg2  1  0.67078996  0.34157891  0.12500000  1.0
  Mg  Mg3  1  0.66529546  0.33058992  0.62500000  1.0
  Mg  Mg4  1  0.67078996  0.82921004  0.12500000  1.0
  Mg  Mg5  1  0.66529546  0.83470454  0.62500000  1.0
  Mg  Mg6  1  0.32950956  0.17049044  0.35496298  1.0
  Mg  Mg7  1  0.32950956  0.17049044  0.89503702  1.0
  Mg  Mg8  1  0.32950956  0.65902013  0.35496298  1.0
  Mg  Mg9  1  0.32950956  0.65902013  0.89503702  1.0
  Mg  Mg10  1  0.84097987  0.17049044  0.35496298  1.0
  Mg  Mg11  1  0.84097987  0.17049044  0.89503702  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37479282  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87520718  1.0
  Sb  Sb14  1  0.16666700  0.33333300  0.62500000  1.0
  C  C15  1  0.16666700  0.33333300  0.12500000  1.0

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