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Y(BRh)4

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-5984 · Space group: P4_2/nmc (#137)

Basic Information

Formula
Y(BRh)4
MP-ID
mp-5984
Elements
3
Sites
18
Density
8.4545
g/cm³
Volume
213.60
ų
Cell a
5.3471
Å
Cell b
5.3471
Å
Cell c
7.4709
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/nmc
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal P
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
20.42 4.3482 8.9 (1,0,1)
23.53 3.7810 8.8 (1,1,0)
29.16 3.0622 55.6 (1,0,2)
33.52 2.6736 5.8 (2,0,0)
33.73 2.6573 10.6 (1,1,2)
35.67 2.5172 100.0 (2,0,1)
39.57 2.2775 78.6 (2,1,1)
39.94 2.2575 63.4 (1,0,3)
41.54 2.1741 5.1 (2,0,2)
45.01 2.0140 44.2 (2,1,2)
48.13 1.8905 25.8 (2,2,0)
48.76 1.8677 9.5 (0,0,4)
50.06 1.8223 10.0 (2,0,3)
51.85 1.7633 2.7 (1,0,4)
53.10 1.7248 8.4 (2,1,3)
54.25 1.6909 2.6 (3,1,0)
54.39 1.6868 11.6 (2,2,2)
54.82 1.6746 2.7 (1,1,4)
57.27 1.6086 11.1 (3,0,2)
60.06 1.5404 3.4 (3,1,2)
60.46 1.5311 1.5 (2,0,4)
63.17 1.4720 3.9 (2,1,4)
64.01 1.4546 17.1 (3,2,1)
64.27 1.4494 16.2 (3,0,3)
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Energy Properties

Formation Energy/atom
-0.57106
eV/atom
Energy/atom
-7.53594
eV/atom
Energy above Hull
0.0127
eV/atom
Uncorrected Energy
-7.5359
eV/atom
Volume/atom
11.87
ų
c/a Ratio
1.3972

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
229.147
GPa
GVRH
99.894
GPa
Young's Modulus E
261.660
GPa
Poisson Ratio ν
0.310
Pugh Ratio K/G
2.294
Vickers Hardness Est.
8.191
GPa
Ductility
Brittle
Anisotropy
0.417
Lame λ
162.551
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
B · 0.444
Element Family
Metalloid-Nonmetal
Solute Fraction
0.556
Interstitial Fraction
0.444

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9650
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0227
J/mol·K
Ω Parameter
0.6433
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
24.910%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3163
smaller = more stable mixing
VEC
5.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-27.910
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8783
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.505
Family
B-rich Multi-Component
Matrix Element
B · 0.444

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4170
Homogeneous Poisson ν
0.3100
Debye Temperature
501.6
K
Sound Velocity
3,844.2
m/s
Homogeneity
0.3100

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-5984
Reference Citation

The crystal structure and related material properties of Y(BRh)4 were obtained from the Materials Project database (MP-ID: mp-5984, 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_Y(BRh)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34709800
_cell_length_b   5.34709800
_cell_length_c   7.47089200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(BRh)4
_chemical_formula_sum   'Y2 B8 Rh8'
_cell_volume   213.60368753
_cell_formula_units_Z   2
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
  Y  Y0  1  0.00000000  0.00000000  0.50000000  1.0
  Y  Y1  1  0.50000000  0.50000000  0.00000000  1.0
  B  B2  1  0.16880800  0.50000000  0.64977800  1.0
  B  B3  1  0.50000000  0.83119200  0.35022200  1.0
  B  B4  1  0.83119200  0.50000000  0.64977800  1.0
  B  B5  1  0.50000000  0.16880800  0.35022200  1.0
  B  B6  1  0.00000000  0.33119200  0.14977800  1.0
  B  B7  1  0.00000000  0.66880800  0.14977800  1.0
  B  B8  1  0.33119200  0.00000000  0.85022200  1.0
  B  B9  1  0.66880800  0.00000000  0.85022200  1.0
  Rh  Rh10  1  0.74863500  0.50000000  0.35511700  1.0
  Rh  Rh11  1  0.50000000  0.25136500  0.64488300  1.0
  Rh  Rh12  1  0.00000000  0.24863500  0.85511700  1.0
  Rh  Rh13  1  0.00000000  0.75136500  0.85511700  1.0
  Rh  Rh14  1  0.24863500  0.00000000  0.14488300  1.0
  Rh  Rh15  1  0.75136500  0.00000000  0.14488300  1.0
  Rh  Rh16  1  0.50000000  0.74863500  0.64488300  1.0
  Rh  Rh17  1  0.25136500  0.50000000  0.35511700  1.0
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