Yb3(GaRh)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292927 · Space group: Pbcm (#57)

Materials Project API

Basic Information

Formula

Yb3(GaRh)2

MP-ID

mp-3292927

Elements

Sites

Density

10.0093

g/cm³

Volume

573.60

Å³

Cell a

5.5314

Cell b

7.5542

Cell c

13.7272

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pbcm

Point Group

mmm

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
12.90	6.8636	2.9	(0,0,2)
16.02	5.5314	3.6	(1,0,0)
19.89	4.4629	4.5	(1,1,0)
20.62	4.3069	2.4	(1,0,2)
23.55	3.7771	2.5	(0,2,0)
23.78	3.7415	18.5	(1,1,2)
24.44	3.6418	3.5	(0,2,1)
25.96	3.4318	1.6	(0,0,4)
26.94	3.3091	19.4	(0,2,2)
27.93	3.1949	11.1	(1,1,3)
28.62	3.1193	8.5	(1,2,0)
29.36	3.0417	6.1	(1,2,1)
30.66	2.9162	12.6	(1,0,4)
30.69	2.9129	34.8	(0,2,3)
31.50	2.8398	7.8	(1,2,2)
32.37	2.7657	4.1	(2,0,0)
32.92	2.7205	48.2	(1,1,4)
34.54	2.5971	54.8	(2,1,0)
34.81	2.5774	47.4	(1,2,3)
35.17	2.5519	22.6	(2,1,1)
35.34	2.5400	50.8	(0,2,4)
37.01	2.4291	3.2	(2,1,2)
39.02	2.3083	22.6	(1,2,4)
39.31	2.2918	67.5	(1,3,0)

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Energy Properties

Formation Energy/atom

-0.91223

eV/atom

Energy/atom

-26.73311

eV/atom

Energy above Hull

0.0064

eV/atom

Uncorrected Energy

-26.7331

eV/atom

Volume/atom

20.49

Å³

c/a Ratio

2.4817

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

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

Yb · 0.429

Element Family

Lanthanide

Solute Fraction

0.571

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0790

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.9707

J/mol·K

Ω Parameter

5.0769

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.200%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5003

smaller = more stable mixing

VEC

9.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.113

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9821

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.466

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.429

Related Tasks

Related computation task IDs (1)

aaahfjfb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292927

Reference Citation

The crystal structure and related material properties of Yb3(GaRh)2 were obtained from the Materials Project database (MP-ID: mp-3292927, 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_Yb3(GaRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53143273
_cell_length_b   7.55420082
_cell_length_c   13.72717673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3(GaRh)2
_chemical_formula_sum   'Yb12 Ga8 Rh8'
_cell_volume   573.59767992
_cell_formula_units_Z   4
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  0.62188286  0.25418507  0.25000000  1.0
  Yb  Yb1  1  0.37811714  0.74581493  0.75000000  1.0
  Yb  Yb2  1  0.37811714  0.75418507  0.25000000  1.0
  Yb  Yb3  1  0.62188286  0.24581493  0.75000000  1.0
  Yb  Yb4  1  0.14945191  0.39972165  0.09331517  1.0
  Yb  Yb5  1  0.85054809  0.60027835  0.90668483  1.0
  Yb  Yb6  1  0.85054809  0.60027835  0.59331517  1.0
  Yb  Yb7  1  0.85054809  0.89972165  0.40668483  1.0
  Yb  Yb8  1  0.14945191  0.39972165  0.40668483  1.0
  Yb  Yb9  1  0.14945191  0.10027835  0.59331517  1.0
  Yb  Yb10  1  0.14945191  0.10027835  0.90668483  1.0
  Yb  Yb11  1  0.85054809  0.89972165  0.09331517  1.0
  Ga  Ga12  1  0.13924607  0.09993299  0.25000000  1.0
  Ga  Ga13  1  0.86075393  0.90006701  0.75000000  1.0
  Ga  Ga14  1  0.86075393  0.59993299  0.25000000  1.0
  Ga  Ga15  1  0.13924607  0.40006701  0.75000000  1.0
  Ga  Ga16  1  0.61529599  0.25000000  0.00000000  1.0
  Ga  Ga17  1  0.38470401  0.75000000  0.00000000  1.0
  Ga  Ga18  1  0.38470401  0.75000000  0.50000000  1.0
  Ga  Ga19  1  0.61529599  0.25000000  0.50000000  1.0
  Rh  Rh20  1  0.35442524  0.03240586  0.09414114  1.0
  Rh  Rh21  1  0.64557476  0.96759414  0.90585886  1.0
  Rh  Rh22  1  0.64557476  0.96759414  0.59414114  1.0
  Rh  Rh23  1  0.64557476  0.53240586  0.40585886  1.0
  Rh  Rh24  1  0.35442524  0.03240586  0.40585886  1.0
  Rh  Rh25  1  0.35442524  0.46759414  0.59414114  1.0
  Rh  Rh26  1  0.35442524  0.46759414  0.90585886  1.0
  Rh  Rh27  1  0.64557476  0.53240586  0.09414114  1.0

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