Yb(GeRh2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296229 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Yb(GeRh2)2

MP-ID

mp-3296229

Elements

Sites

Density

11.4518

g/cm³

Volume

423.37

Å³

Cell a

4.1289

Cell b

9.0699

Cell c

11.3055

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

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
12.51	7.0746	1.1	(0,1,1)
21.11	4.2090	1.3	(0,2,1)
23.68	3.7578	2.7	(1,1,0)
24.97	3.5660	1.7	(1,1,1)
25.18	3.5373	1.3	(0,2,2)
26.74	3.3342	3.6	(1,0,2)
28.52	3.1294	1.2	(1,1,2)
30.61	2.9207	2.9	(0,3,1)
33.20	2.6984	6.0	(0,1,4)
33.36	2.6863	1.4	(1,2,2)
33.62	2.6660	1.1	(0,3,2)
36.85	2.4393	1.6	(1,3,0)
37.49	2.3987	8.9	(0,2,4)
37.73	2.3844	100.0	(1,3,1)
37.93	2.3722	68.8	(1,2,3)
38.16	2.3582	32.7	(0,3,3)
38.60	2.3323	71.5	(1,0,4)
39.75	2.2675	13.3	(0,4,0)
39.91	2.2588	34.2	(1,1,4)
40.27	2.2397	35.0	(1,3,2)
40.58	2.2232	1.5	(0,4,1)
41.14	2.1940	7.1	(0,1,5)
42.98	2.1045	7.4	(0,4,2)
43.64	2.0741	2.1	(1,2,4)

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Energy Properties

Formation Energy/atom

-0.82535

eV/atom

Energy/atom

-23.79939

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.7994

eV/atom

Volume/atom

15.12

Å³

c/a Ratio

2.7382

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0031

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.571

Element Family

4d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

10.0756

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.574%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3992

smaller = more stable mixing

VEC

8.286

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.405

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.536

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.571

Related Tasks

Related computation task IDs (1)

aaahfocb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296229

Reference Citation

The crystal structure and related material properties of Yb(GeRh2)2 were obtained from the Materials Project database (MP-ID: mp-3296229, 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_Yb(GeRh2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12885485
_cell_length_b   9.06992399
_cell_length_c   11.30552822
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb(GeRh2)2
_chemical_formula_sum   'Yb4 Ge8 Rh16'
_cell_volume   423.37393954
_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  0.25000000  0.14602554  0.82581115  1.0
  Yb  Yb1  1  0.25000000  0.35397446  0.32581115  1.0
  Yb  Yb2  1  0.75000000  0.85397446  0.17418885  1.0
  Yb  Yb3  1  0.75000000  0.64602554  0.67418885  1.0
  Ge  Ge4  1  0.25000000  0.41184795  0.63679149  1.0
  Ge  Ge5  1  0.25000000  0.08815205  0.13679149  1.0
  Ge  Ge6  1  0.75000000  0.58815205  0.36320851  1.0
  Ge  Ge7  1  0.75000000  0.91184795  0.86320851  1.0
  Ge  Ge8  1  0.25000000  0.61919244  0.06389884  1.0
  Ge  Ge9  1  0.25000000  0.88080756  0.56389884  1.0
  Ge  Ge10  1  0.75000000  0.38080756  0.93610116  1.0
  Ge  Ge11  1  0.75000000  0.11919244  0.43610116  1.0
  Rh  Rh12  1  0.25000000  0.61666774  0.49991458  1.0
  Rh  Rh13  1  0.25000000  0.88333226  0.99991458  1.0
  Rh  Rh14  1  0.75000000  0.38333226  0.50008542  1.0
  Rh  Rh15  1  0.75000000  0.11666774  0.00008542  1.0
  Rh  Rh16  1  0.25000000  0.69859970  0.27159943  1.0
  Rh  Rh17  1  0.25000000  0.80140030  0.77159943  1.0
  Rh  Rh18  1  0.75000000  0.30140030  0.72840057  1.0
  Rh  Rh19  1  0.75000000  0.19859970  0.22840057  1.0
  Rh  Rh20  1  0.25000000  0.16761628  0.55942933  1.0
  Rh  Rh21  1  0.25000000  0.33238372  0.05942933  1.0
  Rh  Rh22  1  0.75000000  0.83238372  0.44057067  1.0
  Rh  Rh23  1  0.75000000  0.66761628  0.94057067  1.0
  Rh  Rh24  1  0.25000000  0.00483602  0.34166024  1.0
  Rh  Rh25  1  0.25000000  0.49516398  0.84166024  1.0
  Rh  Rh26  1  0.75000000  0.99516398  0.65833976  1.0
  Rh  Rh27  1  0.75000000  0.50483602  0.15833976  1.0

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