Mg6CdSn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1021380 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg6CdSn

MP-ID

mp-1021380

Elements

Sites

Density

3.4290

g/cm³

Volume

365.08

Å³

Cell a

5.0792

Cell b

6.5986

Cell c

10.8931

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
16.27	5.4466	48.2	(0,0,2)
17.46	5.0792	41.8	(1,0,0)
23.96	3.7146	40.8	(1,0,2)
27.03	3.2993	15.0	(0,2,0)
31.71	2.8219	37.7	(0,2,2)
32.36	2.7668	19.0	(1,2,0)
32.89	2.7233	17.1	(0,0,4)
35.34	2.5396	33.7	(2,0,0)
36.42	2.4668	100.0	(1,2,2)
37.47	2.4001	46.2	(1,0,4)
39.14	2.3017	11.3	(2,0,2)
43.07	2.1002	8.9	(0,2,4)
45.05	2.0124	7.7	(2,2,0)
46.81	1.9409	13.4	(1,2,4)
48.21	1.8877	23.2	(2,2,2)
49.05	1.8573	11.0	(2,0,4)
50.25	1.8155	2.8	(0,0,6)
53.61	1.7096	4.6	(1,0,6)
54.17	1.6931	2.2	(3,0,0)
55.72	1.6496	8.8	(0,4,0)
56.89	1.6185	7.9	(2,2,4)
56.96	1.6167	3.9	(3,0,2)
57.98	1.5906	15.6	(0,2,6)
58.46	1.5788	3.5	(0,4,2)

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Energy Properties

Formation Energy/atom

-0.02572

eV/atom

Energy/atom

-1.86977

eV/atom

Energy above Hull

0.0624

eV/atom

Uncorrected Energy

-1.8698

eV/atom

Volume/atom

22.82

Å³

c/a Ratio

2.1447

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0042

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 · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.000

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

0.3716

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.470%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2330

smaller = more stable mixing

VEC

3.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-13.653

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.747

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaacgdge

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1021380

Reference Citation

The crystal structure and related material properties of Mg6CdSn were obtained from the Materials Project database (MP-ID: mp-1021380, 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_Mg6CdSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07915500
_cell_length_b   6.59857700
_cell_length_c   10.89311200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6CdSn
_chemical_formula_sum   'Mg12 Cd2 Sn2'
_cell_volume   365.08477678
_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  0.50000000  0.25020700  0.08372700  1.0
  Mg  Mg1  1  0.50000000  0.74979300  0.08372700  1.0
  Mg  Mg2  1  0.00000000  0.25455000  0.91757200  1.0
  Mg  Mg3  1  0.00000000  0.74545000  0.91757200  1.0
  Mg  Mg4  1  0.00000000  0.50000000  0.16415100  1.0
  Mg  Mg5  1  0.00000000  0.50000000  0.66699100  1.0
  Mg  Mg6  1  0.50000000  0.75020700  0.58372700  1.0
  Mg  Mg7  1  0.50000000  0.24979300  0.58372700  1.0
  Mg  Mg8  1  0.00000000  0.75455000  0.41757200  1.0
  Mg  Mg9  1  0.00000000  0.24545000  0.41757200  1.0
  Mg  Mg10  1  0.00000000  0.00000000  0.66415100  1.0
  Mg  Mg11  1  0.00000000  0.00000000  0.16699100  1.0
  Cd  Cd12  1  0.50000000  0.50000000  0.83327400  1.0
  Cd  Cd13  1  0.50000000  0.00000000  0.33327400  1.0
  Sn  Sn14  1  0.50000000  0.50000000  0.33299000  1.0
  Sn  Sn15  1  0.50000000  0.00000000  0.83299000  1.0

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