Pt4Rh4W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202148 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Pt4Rh4W

MP-ID

mp-3202148

Elements

Sites

Density

17.3600

g/cm³

Volume

131.60

Å³

Cell a

6.1532

Cell b

6.1532

Cell c

6.1532

α Angle

95.63

β Angle

95.63

γ Angle

143.50

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

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 23)

2θ	d (Å)	I	hkl
21.51	4.1321	4.8	(1,-1,1)
25.50	3.4927	1.4	(0,1,-1)
25.50	3.4927	4.3	(1,0,0)
30.60	2.9218	2.4	(2,-2,0)
33.60	2.6674	2.5	(2,-1,-1)
34.31	2.6134	2.7	(2,-2,1)
40.24	2.2411	100.0	(2,-1,-2)
40.24	2.2411	33.3	(2,-1,1)
46.08	1.9700	2.1	(1,0,-3)
46.63	1.9479	43.4	(3,-3,0)
47.17	1.9269	21.4	(1,1,-1)
61.00	1.5190	1.1	(1,0,-4)
65.46	1.4257	1.6	(4,-3,-2)
68.07	1.3774	13.8	(3,-3,3)
68.49	1.3699	13.8	(2,-4,1)
68.49	1.3699	13.8	(4,-2,-1)
82.14	1.1735	8.2	(4,-5,-1)
82.14	1.1735	20.5	(2,-1,-5)
82.14	1.1735	4.1	(2,-1,4)
82.93	1.1642	4.2	(0,3,-3)
82.93	1.1642	12.5	(3,0,0)
86.94	1.1205	11.0	(4,-2,-4)
86.94	1.1205	3.7	(4,-2,2)

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Energy Properties

Formation Energy/atom

-0.24788

eV/atom

Energy/atom

-39.56605

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.5661

eV/atom

Volume/atom

14.62

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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 · 0.444

Element Family

5d-TM

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9650

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0227

J/mol·K

Ω Parameter

0.6532

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.816%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0251

smaller = more stable mixing

VEC

9.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-28.397

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8783

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.514

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.444

Related Tasks

Related computation task IDs (1)

aaahaexo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202148

Reference Citation

The crystal structure and related material properties of Pt4Rh4W were obtained from the Materials Project database (MP-ID: mp-3202148, 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_Pt4Rh4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15315142
_cell_length_b   6.15315189
_cell_length_c   6.15315153
_cell_angle_alpha   95.62775312
_cell_angle_beta   95.62775732
_cell_angle_gamma   143.50127233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt4Rh4W
_chemical_formula_sum   'Pt4 Rh4 W1'
_cell_volume   131.59973824
_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
  Pt  Pt0  1  1.00000000  0.32667949  0.32667949  1.0
  Pt  Pt1  1  0.00000000  0.67332051  0.67332051  1.0
  Pt  Pt2  1  0.67332051  0.00000000  0.67332051  1.0
  Pt  Pt3  1  0.32667949  1.00000000  0.32667949  1.0
  Rh  Rh4  1  0.34047261  0.34047261  0.68094421  1.0
  Rh  Rh5  1  0.65952739  0.65952739  0.31905579  1.0
  Rh  Rh6  1  0.65952739  0.34047260  1.00000000  1.0
  Rh  Rh7  1  0.34047261  0.65952740  0.00000000  1.0
  W  W8  1  0.00000000  0.00000000  0.00000000  1.0

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