MgSbPt

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10184 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

MgSbPt

MP-ID

mp-10184

Elements

Sites

Density

9.1242

g/cm³

Volume

62.09

Å³

Cell a

4.4447

Cell b

4.4447

Cell c

4.4447

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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 23)

2θ	d (Å)	I	hkl
24.53	3.6291	29.8	(0,1,0)
24.53	3.6290	89.3	(1,0,0)
28.40	3.1429	2.5	(1,1,0)
40.60	2.2223	20.0	(1,-1,0)
40.60	2.2223	100.0	(2,1,1)
48.00	1.8952	10.0	(0,2,1)
48.00	1.8952	39.9	(2,0,1)
48.00	1.8952	10.0	(1,1,-1)
58.76	1.5714	13.5	(2,0,2)
58.76	1.5714	6.7	(2,2,0)
64.63	1.4420	4.1	(2,-1,0)
64.63	1.4420	16.5	(3,1,1)
64.63	1.4420	4.1	(3,2,2)
73.86	1.2831	6.8	(0,3,1)
73.86	1.2831	23.9	(3,0,1)
73.86	1.2831	10.3	(3,1,0)
79.18	1.2097	1.2	(0,3,0)
79.18	1.2097	8.2	(3,0,2)
79.18	1.2097	8.2	(3,3,1)
79.18	1.2097	1.2	(3,2,0)
87.86	1.1112	2.3	(2,-2,0)
87.86	1.1112	4.5	(2,4,2)
87.86	1.1112	6.8	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.70055

eV/atom

Energy/atom

-4.64408

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.9183

eV/atom

Volume/atom

20.70

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

88.916

GPa

G_VRH

35.310

GPa

Young's Modulus E

93.547

GPa

Poisson Ratio ν

0.325

Pugh Ratio K/G

2.518

Vickers Hardness Est.

2.461

GPa

Ductility

Brittle

Anisotropy

0.087

Lame λ

65.376

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.2937

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.967%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4138

smaller = more stable mixing

VEC

5.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-40.099

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.595

Family

Mg-rich Multi-Component

Matrix Element

Mg · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0870

Homogeneous Poisson ν

0.3250

Debye Temperature

239.0

Sound Velocity

2,204.3

m/s

Homogeneity

0.3250

Related Tasks

Related computation task IDs (2)

aaaegsgh aaaeyirc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10184

Reference Citation

The crystal structure and related material properties of MgSbPt were obtained from the Materials Project database (MP-ID: mp-10184, 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_MgSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44465356
_cell_length_b   4.44465392
_cell_length_c   4.44465369
_cell_angle_alpha   60.00000161
_cell_angle_beta   59.99999894
_cell_angle_gamma   60.00001060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbPt
_chemical_formula_sum   'Mg1 Sb1 Pt1'
_cell_volume   62.08673646
_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  0.50000000  0.50000000  0.50000000  1.0
  Sb  Sb1  1  -0.00000000  -0.00000000  0.00000000  1.0
  Pt  Pt2  1  0.25000000  0.25000000  0.25000000  1.0

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