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Yb2BRh2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3253578 · Space group: Immm (#71)

Basic Information

Formula
Yb2BRh2
MP-ID
mp-3253578
Elements
3
Sites
5
Density
11.2617
g/cm³
Volume
82.97
ų
Cell a
5.4881
Å
Cell b
5.4881
Å
Cell c
5.4881
Å
α Angle
145.65
°
β Angle
114.84
°
γ Angle
75.78
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
18.17 4.8823 8.2 (0,1,-1)
20.51 4.3313 3.7 (1,1,-1)
29.42 3.0356 9.3 (1,0,-1)
30.24 2.9552 7.2 (1,-1,1)
31.48 2.8419 41.0 (0,0,1)
31.48 2.8419 41.0 (1,-1,0)
34.57 2.5944 41.3 (1,2,-2)
36.82 2.4411 100.0 (0,2,-2)
37.86 2.3761 57.8 (1,1,-2)
41.71 2.1656 20.1 (2,2,-2)
41.90 2.1560 61.7 (2,1,-2)
42.70 2.1175 26.2 (0,1,-2)
42.70 2.1175 26.2 (1,-2,1)
47.32 1.9211 5.4 (1,-2,2)
53.17 1.7225 8.3 (2,2,-3)
54.51 1.6835 4.7 (1,-1,2)
54.51 1.6835 4.7 (2,-2,1)
55.25 1.6625 12.3 (2,3,-3)
56.55 1.6274 2.2 (0,3,-3)
56.55 1.6274 2.2 (3,0,0)
56.81 1.6206 18.8 (1,-1,-1)
58.85 1.5692 14.8 (0,2,-3)
58.85 1.5692 14.8 (1,-3,2)
60.60 1.5279 1.8 (3,2,-3)
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Energy Properties

Formation Energy/atom
-0.73724
eV/atom
Energy/atom
-26.47275
eV/atom
Energy above Hull
0.2358
eV/atom
Uncorrected Energy
-26.4728
eV/atom
Volume/atom
16.59
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Yb · 0.400
Element Family
Lanthanide
Solute Fraction
0.600
Interstitial Fraction
0.200

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
3.5299
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
22.353%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5460
smaller = more stable mixing
VEC
9.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.481
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.311
Family
Yb-rich Multi-Component
Matrix Element
Yb · 0.400

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3253578
Reference Citation

The crystal structure and related material properties of Yb2BRh2 were obtained from the Materials Project database (MP-ID: mp-3253578, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Yb2BRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48809207
_cell_length_b   5.48809209
_cell_length_c   5.48809240
_cell_angle_alpha   145.65082976
_cell_angle_beta   114.83988550
_cell_angle_gamma   75.77689134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2BRh2
_chemical_formula_sum   'Yb2 B1 Rh2'
_cell_volume   82.97046965
_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  0.70545683  0.20545583  0.50000100  1.0
  Yb  Yb1  1  0.29454417  0.79454417  0.50000000  1.0
  B  B2  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh3  1  0.76898365  0.50000000  0.26898365  1.0
  Rh  Rh4  1  0.23101735  0.50000000  0.73101735  1.0
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