Pt7RhW

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202200 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

Pt7RhW

MP-ID

mp-3202200

Elements

Sites

Density

20.1278

g/cm³

Volume

136.32

Å³

Cell a

6.2276

Cell b

6.2276

Cell c

6.2194

α Angle

95.64

β Angle

95.64

γ Angle

143.47

Space Group

Fmm2

Point Group

mm2

Crystal System

Orthorhombic

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 24)

2θ	d (Å)	I	hkl
15.00	5.9053	1.5	(0,0,1)
25.18	3.5367	1.6	(1,0,0)
30.23	2.9569	1.6	(2,-2,0)
33.20	2.6987	1.9	(1,0,1)
39.75	2.2675	100.0	(2,-1,1)
39.75	2.2675	50.0	(1,-2,2)
39.75	2.2675	50.0	(1,-2,-1)
46.04	1.9713	32.7	(3,-3,0)
46.11	1.9684	32.8	(0,0,3)
46.53	1.9517	32.4	(1,1,-1)
67.21	1.3929	10.6	(3,-3,3)
67.21	1.3929	10.6	(3,-3,-3)
67.54	1.3869	10.5	(4,-2,-1)
67.54	1.3869	10.5	(2,-4,1)
67.59	1.3859	10.6	(1,1,-4)
67.59	1.3859	10.6	(1,1,2)
80.96	1.1875	6.3	(5,-4,1)
80.96	1.1875	6.3	(5,-4,-2)
80.96	1.1875	6.3	(4,-5,2)
80.96	1.1875	6.3	(4,-5,-1)
81.07	1.1862	6.3	(2,-1,4)
81.07	1.1862	12.7	(2,-1,-5)
81.07	1.1862	6.3	(1,-2,-4)
81.68	1.1789	12.8	(3,0,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.22898

eV/atom

Energy/atom

-48.66432

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-48.6643

eV/atom

Volume/atom

15.15

Å³

c/a Ratio

0.9987

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 · 0.778

Element Family

5d-TM

Solute Fraction

0.222

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6837

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.6846

J/mol·K

Ω Parameter

0.7018

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.135%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0251

smaller = more stable mixing

VEC

9.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.198

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6224

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.671

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.778

Related Tasks

Related computation task IDs (1)

aaahaezo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202200

Reference Citation

The crystal structure and related material properties of Pt7RhW were obtained from the Materials Project database (MP-ID: mp-3202200, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Pt7RhW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22759461
_cell_length_b   6.22759297
_cell_length_c   6.21941484
_cell_angle_alpha   95.64388955
_cell_angle_beta   95.64388020
_cell_angle_gamma   143.47219006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt7RhW
_chemical_formula_sum   'Pt7 Rh1 W1'
_cell_volume   136.31743761
_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  0.66260170  0.66260170  0.32520341  1.0
  Pt  Pt1  1  0.66024221  0.33897511  0.99921632  1.0
  Pt  Pt2  1  0.33897511  0.66024221  0.99921632  1.0
  Pt  Pt3  1  0.00184552  0.32897263  0.33081916  1.0
  Pt  Pt4  1  0.99780396  0.67213875  0.66994271  1.0
  Pt  Pt5  1  0.67213875  0.99780396  0.66994271  1.0
  Pt  Pt6  1  0.32897264  0.00184552  0.33081916  1.0
  Rh  Rh7  1  0.34173212  0.34173212  0.68346425  1.0
  W  W8  1  0.99568798  0.99568798  0.99137596  1.0

Get direct link