Os(PtRh3)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201108 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Os(PtRh3)2

MP-ID

mp-3201108

Elements

Sites

Density

15.6179

g/cm³

Volume

127.36

Å³

Cell a

6.0764

Cell b

6.0763

Cell c

6.0764

α Angle

95.71

β Angle

95.69

γ Angle

143.26

Space Group

Immm

Point Group

mmm

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
21.80	4.0774	16.9	(1,-1,-1)
25.70	3.4665	10.7	(1,0,-1)
25.70	3.4664	10.7	(0,1,0)
34.78	2.5791	10.3	(2,-2,1)
40.70	2.2169	77.4	(2,-1,1)
40.70	2.2169	77.4	(1,-2,2)
40.70	2.2167	77.3	(2,-1,-2)
40.70	2.2166	77.3	(1,-2,-1)
44.44	2.0387	2.6	(2,-2,-2)
46.63	1.9476	2.5	(3,-2,0)
46.63	1.9476	2.5	(0,1,-3)
46.64	1.9476	2.5	(1,0,2)
46.64	1.9476	2.5	(2,-3,1)
47.29	1.9223	100.0	(3,-3,0)
47.48	1.9148	49.9	(1,1,-1)
52.82	1.7333	1.8	(2,0,-2)
52.82	1.7332	1.8	(0,2,0)
60.19	1.5374	1.2	(3,-1,0)
60.19	1.5374	1.2	(0,2,-3)
60.19	1.5374	1.2	(2,0,1)
60.19	1.5374	1.2	(1,-3,2)
61.83	1.5006	1.0	(4,-3,-1)
61.83	1.5006	1.0	(1,0,-4)
61.83	1.5006	1.0	(0,1,3)

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Energy Properties

Formation Energy/atom

-0.02897

eV/atom

Energy/atom

-33.44875

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.4487

eV/atom

Volume/atom

14.15

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

Rh · 0.667

Element Family

4d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

0.9439

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.511%

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

-17.284

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.632

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.667

Related Tasks

Related computation task IDs (1)

aaahadjo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201108

Reference Citation

The crystal structure and related material properties of Os(PtRh3)2 were obtained from the Materials Project database (MP-ID: mp-3201108, 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_Os(PtRh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07639089
_cell_length_b   6.07628844
_cell_length_c   6.07638997
_cell_angle_alpha   95.70638559
_cell_angle_beta   95.69301432
_cell_angle_gamma   143.26264702
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os(PtRh3)2
_chemical_formula_sum   'Os1 Pt2 Rh6'
_cell_volume   127.35703774
_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
  Os  Os0  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt1  1  0.66919086  0.00000000  0.66919086  1.0
  Pt  Pt2  1  0.33080914  1.00000000  0.33080914  1.0
  Rh  Rh3  1  0.33919076  0.33803566  0.67729402  1.0
  Rh  Rh4  1  0.66080924  0.66196434  0.32270598  1.0
  Rh  Rh5  1  0.66074164  0.33803566  0.99884590  1.0
  Rh  Rh6  1  0.33925836  0.66196434  0.00115410  1.0
  Rh  Rh7  1  0.99998811  0.32621326  0.32622515  1.0
  Rh  Rh8  1  0.00001189  0.67378674  0.67377485  1.0

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