Pd7RhW

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202074 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

Pd7RhW

MP-ID

mp-3202074

Elements

Sites

Density

12.8244

g/cm³

Volume

133.59

Å³

Cell a

6.2131

Cell b

6.2131

Cell c

6.1762

α Angle

95.55

β Angle

95.55

γ Angle

143.86

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 21)

2θ	d (Å)	I	hkl
15.00	5.9066	2.1	(1,-1,0)
15.10	5.8678	2.3	(0,0,1)
21.34	4.1628	1.9	(1,-1,1)
40.03	2.2522	100.0	(2,-1,-2)
46.10	1.9689	16.7	(3,-3,0)
46.43	1.9559	15.9	(0,0,3)
47.16	1.9272	15.7	(1,1,-1)
67.50	1.3876	10.1	(3,-3,3)
68.08	1.3772	5.1	(4,-2,-1)
68.08	1.3772	5.1	(2,-4,1)
68.33	1.3728	4.9	(1,1,-4)
68.33	1.3728	4.9	(1,1,2)
81.23	1.1842	6.1	(5,-4,-2)
81.23	1.1842	6.1	(4,-5,2)
81.71	1.1786	5.7	(2,-1,-5)
81.71	1.1786	5.7	(1,-2,5)
82.79	1.1659	5.9	(3,0,-3)
82.79	1.1659	5.9	(0,3,-3)
86.41	1.1261	5.2	(4,-2,-4)
86.41	1.1261	2.6	(2,-4,4)
86.41	1.1261	2.6	(2,-4,-2)

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Energy Properties

Formation Energy/atom

-0.09446

eV/atom

Energy/atom

-26.34193

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.3419

eV/atom

Volume/atom

14.84

Å³

c/a Ratio

0.9941

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

Pd · 0.778

Element Family

4d-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

0.6495

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

0.874%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0533

smaller = more stable mixing

VEC

9.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.212

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

Pd-rich Multi-Component

Matrix Element

Pd · 0.778

Related Tasks

Related computation task IDs (1)

aaahaeus

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202074

Reference Citation

The crystal structure and related material properties of Pd7RhW were obtained from the Materials Project database (MP-ID: mp-3202074, 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_Pd7RhW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21305313
_cell_length_b   6.21305246
_cell_length_c   6.17615527
_cell_angle_alpha   95.55403972
_cell_angle_beta   95.55404557
_cell_angle_gamma   143.86019929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd7RhW
_chemical_formula_sum   'Pd7 Rh1 W1'
_cell_volume   133.58520727
_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
  Pd  Pd0  1  0.66422127  0.33767590  0.00189817  1.0
  Pd  Pd1  1  0.33767590  0.66422127  0.00189817  1.0
  Pd  Pd2  1  0.66271084  0.66271084  0.32542268  1.0
  Pd  Pd3  1  0.32830348  0.00222226  0.33052574  1.0
  Pd  Pd4  1  0.00222226  0.32830348  0.33052574  1.0
  Pd  Pd5  1  0.67004361  0.99843824  0.66848285  1.0
  Pd  Pd6  1  0.99843824  0.67004361  0.66848285  1.0
  Rh  Rh7  1  0.34428958  0.34428958  0.68857817  1.0
  W  W8  1  0.99209281  0.99209281  0.98418462  1.0

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