YbCe(PtRh)2

High-Entropy Materials HEA

MP-ID: mp-3247702 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

YbCe(PtRh)2

MP-ID

mp-3247702

Elements

Sites

Density

13.9045

g/cm³

Volume

108.57

Å³

Cell a

5.3562

Cell b

5.3562

Cell c

5.3562

α Angle

120.09

β Angle

120.01

γ Angle

89.91

Space Group

Imm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
20.30	4.3740	19.5	(1,0,0)
23.47	3.7904	7.9	(1,1,-1)
33.46	2.6781	30.9	(2,0,-1)
33.46	2.6781	10.3	(0,2,-1)
33.47	2.6777	24.8	(1,-1,1)
33.51	2.6743	2.1	(1,-1,-1)
39.43	2.2853	49.3	(2,1,-1)
39.44	2.2848	13.0	(2,1,-2)
39.44	2.2848	13.0	(1,2,-1)
39.47	2.2832	37.9	(2,-1,0)
39.47	2.2832	12.6	(1,-2,1)
39.50	2.2817	100.0	(2,-1,-1)
41.28	2.1870	43.5	(2,0,0)
41.32	2.1852	21.1	(2,0,-2)
41.32	2.1852	21.1	(0,2,0)
48.00	1.8952	3.2	(2,2,-2)
48.08	1.8922	6.3	(0,0,2)
52.68	1.7374	1.8	(3,0,-2)
52.68	1.7374	1.8	(1,2,0)
54.18	1.6930	2.6	(3,-1,-1)
59.81	1.5463	4.9	(3,1,-3)
59.81	1.5463	4.9	(1,3,-1)
59.82	1.5461	2.0	(3,-1,0)
59.82	1.5461	5.9	(0,2,-3)

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Energy Properties

Formation Energy/atom

-0.97641

eV/atom

Energy/atom

-37.41273

eV/atom

Energy above Hull

0.0508

eV/atom

Uncorrected Energy

-37.4127

eV/atom

Volume/atom

18.10

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0077

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.333

Element Family

5d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

0.6025

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.781%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5516

smaller = more stable mixing

VEC

9.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-32.787

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcuhq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247702

Reference Citation

The crystal structure and related material properties of YbCe(PtRh)2 were obtained from the Materials Project database (MP-ID: mp-3247702, 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_YbCe(PtRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35623609
_cell_length_b   5.35623508
_cell_length_c   5.35623589
_cell_angle_alpha   120.09322067
_cell_angle_beta   120.01032276
_cell_angle_gamma   89.91036929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCe(PtRh)2
_chemical_formula_sum   'Yb1 Ce1 Pt2 Rh2'
_cell_volume   108.57333747
_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
  Yb  Yb0  1  0.12426213  0.87426213  0.25000000  1.0
  Ce  Ce1  1  0.87650971  0.12650971  0.75000000  1.0
  Pt  Pt2  1  0.49945003  0.50042055  0.50097052  1.0
  Pt  Pt3  1  0.49945003  0.99847951  0.99902948  1.0
  Rh  Rh4  1  0.50002230  0.50016355  0.99985876  1.0
  Rh  Rh5  1  0.00030379  0.50016355  0.50014124  1.0

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