Mg6SnC

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1021392 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg6SnC

MP-ID

mp-1021392

Elements

Sites

Density

2.7409

g/cm³

Volume

335.09

Å³

Cell a

4.5853

Cell b

5.9334

Cell c

12.3167

α Angle

90.00

β Angle

90.00

γ Angle

90.00

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
14.38	6.1584	38.4	(0,0,2)
16.58	5.3455	41.1	(0,1,1)
19.36	4.5853	27.7	(1,0,0)
24.20	3.6778	30.3	(1,0,2)
25.60	3.4803	61.2	(1,1,1)
26.40	3.3761	38.8	(0,1,3)
29.00	3.0792	25.4	(0,0,4)
30.12	2.9667	5.6	(0,2,0)
32.95	2.7187	11.6	(1,1,3)
33.53	2.6727	32.9	(0,2,2)
35.11	2.5563	61.3	(1,0,4)
36.06	2.4908	13.0	(1,2,0)
39.01	2.3091	100.0	(1,2,2)
39.30	2.2927	32.4	(2,0,0)
39.61	2.2751	5.6	(0,1,5)
42.05	2.1486	6.2	(2,0,2)
42.30	2.1364	11.0	(0,2,4)
42.92	2.1070	8.5	(2,1,1)
44.12	2.0528	1.3	(0,0,6)
44.45	2.0380	18.8	(1,1,5)
46.50	1.9528	4.5	(0,3,1)
46.92	1.9365	4.5	(1,2,4)
47.97	1.8967	15.3	(2,1,3)
48.59	1.8736	6.3	(1,0,6)

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Energy Properties

Formation Energy/atom

0.39761

eV/atom

Energy/atom

-2.48031

eV/atom

Energy above Hull

0.4603

eV/atom

Uncorrected Energy

-2.4803

eV/atom

Volume/atom

20.94

Å³

c/a Ratio

2.6861

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0106

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.125

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7356

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1160

J/mol·K

Ω Parameter

0.3622

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.306%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4350

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-20.824

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.629

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaacgdhb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1021392

Reference Citation

The crystal structure and related material properties of Mg6SnC were obtained from the Materials Project database (MP-ID: mp-1021392, 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_Mg6SnC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58530800
_cell_length_b   5.93339700
_cell_length_c   12.31669100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6SnC
_chemical_formula_sum   'Mg12 Sn2 C2'
_cell_volume   335.09347150
_cell_formula_units_Z   2
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  0.00000000  0.27489800  0.10204100  1.0
  Mg  Mg1  1  0.00000000  0.72510200  0.10204100  1.0
  Mg  Mg2  1  0.00000000  0.00000000  0.32508200  1.0
  Mg  Mg3  1  0.50000000  0.75415500  0.43653200  1.0
  Mg  Mg4  1  0.50000000  0.24584500  0.43653200  1.0
  Mg  Mg5  1  0.50000000  0.00000000  0.17763900  1.0
  Mg  Mg6  1  0.00000000  0.77489800  0.60204100  1.0
  Mg  Mg7  1  0.00000000  0.22510200  0.60204100  1.0
  Mg  Mg8  1  0.00000000  0.50000000  0.82508200  1.0
  Mg  Mg9  1  0.50000000  0.25415500  0.93653200  1.0
  Mg  Mg10  1  0.50000000  0.74584500  0.93653200  1.0
  Mg  Mg11  1  0.50000000  0.50000000  0.67763900  1.0
  Sn  Sn12  1  0.00000000  0.50000000  0.34756300  1.0
  Sn  Sn13  1  0.00000000  0.00000000  0.84756300  1.0
  C  C14  1  0.50000000  0.50000000  0.07257100  1.0
  C  C15  1  0.50000000  0.00000000  0.57257100  1.0

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