YbCe(Si2Rh3)2

High-Entropy Materials HEA

MP-ID: mp-3248343 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

YbCe(Si2Rh3)2

MP-ID

mp-3248343

Elements

Sites

Density

9.0920

g/cm³

Volume

190.48

Å³

Cell a

6.6026

Cell b

6.6026

Cell c

6.6026

α Angle

130.15

β Angle

114.98

γ Angle

86.15

Space Group

Imm2

Point Group

mm2

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
20.28	4.3792	7.5	(1,-1,0)
20.28	4.3792	7.5	(0,0,1)
25.10	3.5483	5.6	(1,-1,1)
31.30	2.8581	19.5	(2,0,0)
31.30	2.8581	19.5	(0,2,-2)
31.30	2.8576	94.0	(2,-1,0)
32.15	2.7840	7.7	(1,2,-1)
32.17	2.7826	2.0	(1,-1,-1)
35.89	2.5019	6.8	(2,-1,-1)
35.89	2.5019	6.8	(0,1,1)
37.29	2.4115	57.3	(2,2,-2)
37.31	2.4102	100.0	(0,2,0)
41.22	2.1903	19.9	(3,0,-1)
41.22	2.1903	59.8	(2,1,0)
41.23	2.1896	27.8	(2,-2,0)
41.48	2.1770	2.4	(2,-2,1)
41.48	2.1770	2.4	(1,-1,2)
42.81	2.1124	8.3	(3,1,-2)
45.48	1.9945	4.1	(3,1,-1)
45.48	1.9945	4.1	(1,3,-3)
45.49	1.9938	23.1	(3,-1,-1)
45.72	1.9843	5.7	(3,-1,0)
45.72	1.9843	17.0	(1,-3,2)
51.51	1.7742	21.9	(2,-2,2)

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Energy Properties

Formation Energy/atom

-1.10549

eV/atom

Energy/atom

-21.71236

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.7124

eV/atom

Volume/atom

15.87

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8584

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004510

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.333

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1269

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3693

J/mol·K

Ω Parameter

1.1455

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.583%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4157

smaller = more stable mixing

VEC

7.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.224

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8129

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcvgh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248343

Reference Citation

The crystal structure and related material properties of YbCe(Si2Rh3)2 were obtained from the Materials Project database (MP-ID: mp-3248343, 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(Si2Rh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60258354
_cell_length_b   6.60258310
_cell_length_c   6.60258269
_cell_angle_alpha   130.14889552
_cell_angle_beta   114.98435402
_cell_angle_gamma   86.14986913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCe(Si2Rh3)2
_chemical_formula_sum   'Yb1 Ce1 Si4 Rh6'
_cell_volume   190.47779895
_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  0.25000000  0.94928229  0.69928229  1.0
  Ce  Ce1  1  0.75000000  0.04361363  0.29361363  1.0
  Si  Si2  1  0.08420596  0.28004166  0.19583570  1.0
  Si  Si3  1  0.92825631  0.73631642  0.80806011  1.0
  Si  Si4  1  0.41579404  0.61162974  0.19583570  1.0
  Si  Si5  1  0.57174369  0.37980480  0.80806011  1.0
  Rh  Rh6  1  0.50714184  0.49809147  0.50523331  1.0
  Rh  Rh7  1  0.99285816  0.49809147  0.99094964  1.0
  Rh  Rh8  1  0.28540474  0.99997856  0.28699144  1.0
  Rh  Rh9  1  0.71298613  0.99997856  0.71457282  1.0
  Rh  Rh10  1  0.21459526  0.50158669  0.71457282  1.0
  Rh  Rh11  1  0.78701387  0.50158669  0.28699144  1.0

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