P2Ru2Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202217 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

P2Ru2Rh

MP-ID

mp-3202217

Elements

Sites

Density

8.7903

g/cm³

Volume

69.33

Å³

Cell a

3.8259

Cell b

3.8259

Cell c

5.4690

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

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
26.91	3.3133	1.9	(1,0,-1,0)
31.57	2.8338	50.0	(1,0,-1,1)
31.57	2.8338	100.0	(1,-1,0,1)
32.75	2.7345	2.5	(0,0,0,2)
42.88	2.1090	37.8	(1,0,-1,2)
42.88	2.1090	75.6	(1,-1,0,2)
47.53	1.9130	62.9	(2,-1,-1,0)
47.53	1.9130	31.5	(1,-2,1,0)
50.03	1.8230	17.7	(0,0,0,3)
57.72	1.5972	1.7	(1,0,-1,3)
58.19	1.5855	17.2	(2,0,-2,1)
58.19	1.5855	8.6	(2,-2,0,1)
58.92	1.5675	1.6	(2,-1,-1,2)
65.92	1.4169	10.2	(2,0,-2,2)
65.92	1.4169	20.4	(2,-2,0,2)
71.49	1.3197	11.8	(1,1,-2,3)
71.49	1.3197	23.6	(2,-1,-1,3)
75.17	1.2639	5.1	(1,0,-1,4)
75.17	1.2639	10.2	(1,-1,0,4)
78.33	1.2207	3.5	(2,1,-3,1)
78.33	1.2207	7.0	(3,-1,-2,1)
78.33	1.2207	7.0	(3,-2,-1,1)
78.33	1.2207	3.5	(2,-3,1,1)
85.23	1.1386	5.1	(2,1,-3,2)

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Energy Properties

Formation Energy/atom

-0.65630

eV/atom

Energy/atom

-19.25419

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.2542

eV/atom

Volume/atom

13.87

Å³

c/a Ratio

1.4295

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

P · 0.400

Element Family

Metalloid-Nonmetal

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.7654

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.451%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0343

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

18.531

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

P-rich Multi-Component

Matrix Element

P · 0.400

Related Tasks

Related computation task IDs (1)

aaahafaf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202217

Reference Citation

The crystal structure and related material properties of P2Ru2Rh were obtained from the Materials Project database (MP-ID: mp-3202217, 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_P2Ru2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82589823
_cell_length_b   3.82589762
_cell_length_c   5.46899537
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2Ru2Rh
_chemical_formula_sum   'P2 Ru2 Rh1'
_cell_volume   69.32741315
_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
  P  P0  1  0.66666700  0.33333400  0.23950723  1.0
  P  P1  1  0.33333300  0.66666700  0.76049477  1.0
  Ru  Ru2  1  0.33333300  0.66666700  0.33226804  1.0
  Ru  Ru3  1  0.66666700  0.33333400  0.66772996  1.0
  Rh  Rh4  1  0.00000000  0.00000000  0.00000000  1.0

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