MgPt6W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201915 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

MgPt6W

MP-ID

mp-3201915

Elements

Sites

Density

18.8575

g/cm³

Volume

121.40

Å³

Cell a

5.5579

Cell b

5.5579

Cell c

5.5579

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

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 24)

2θ	d (Å)	I	hkl
19.56	4.5380	15.4	(1,1,1)
22.63	3.9300	10.6	(1,1,0)
32.21	2.7790	8.9	(2,1,1)
37.97	2.3699	8.2	(2,2,1)
39.72	2.2690	100.0	(2,2,2)
39.72	2.2690	100.0	(2,0,0)
46.20	1.9650	98.2	(2,2,0)
50.62	1.8032	2.3	(3,2,2)
50.62	1.8032	1.7	(2,0,-1)
52.03	1.7576	3.2	(3,1,2)
52.03	1.7576	1.6	(3,2,1)
57.44	1.6044	1.8	(3,3,2)
57.44	1.6044	1.8	(3,1,0)
61.28	1.5127	2.5	(3,3,3)
67.40	1.3895	21.5	(2,4,2)
67.40	1.3895	42.9	(2,0,-2)
70.94	1.3286	2.1	(4,3,2)
72.10	1.3100	1.5	(4,3,3)
76.68	1.2428	1.0	(4,1,3)
81.17	1.1850	6.5	(2,4,4)
81.17	1.1850	51.9	(4,0,2)
81.17	1.1850	19.5	(2,2,-2)
85.61	1.1345	11.5	(4,4,4)
85.61	1.1345	11.5	(4,0,0)

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Energy Properties

Formation Energy/atom

-0.47537

eV/atom

Energy/atom

-46.03329

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-46.0333

eV/atom

Volume/atom

15.18

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Pt · 0.750

Element Family

5d-TM

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

0.3890

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.904%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3256

smaller = more stable mixing

VEC

8.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-33.142

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.664

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.750

Related Tasks

Related computation task IDs (1)

aaahaeop

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201915

Reference Citation

The crystal structure and related material properties of MgPt6W were obtained from the Materials Project database (MP-ID: mp-3201915, 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_MgPt6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55790919
_cell_length_b   5.55790966
_cell_length_c   5.55790950
_cell_angle_alpha   59.99999516
_cell_angle_beta   59.99999233
_cell_angle_gamma   59.99999771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPt6W
_chemical_formula_sum   'Mg1 Pt6 W1'
_cell_volume   121.40018650
_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  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt1  1  0.50000000  0.00000000  0.00000000  1.0
  Pt  Pt2  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt3  1  0.00000000  0.50000000  0.00000000  1.0
  Pt  Pt4  1  0.50000000  0.00000000  0.50000000  1.0
  Pt  Pt5  1  0.00000000  0.00000000  0.50000000  1.0
  Pt  Pt6  1  0.50000000  0.50000000  0.00000000  1.0
  W  W7  1  0.50000000  0.50000000  0.50000000  1.0

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