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Sr2B4Rh5

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-8896 · Space group: Fmmm (#69)

Basic Information

Formula
Sr2B4Rh5
MP-ID
mp-8896
Elements
3
Sites
11
Density
7.7411
g/cm³
Volume
157.24
ų
Cell a
5.5418
Å
Cell b
5.7506
Å
Cell c
6.2756
Å
α Angle
77.72
°
β Angle
63.80
°
γ Angle
61.19
°
Space Group
Fmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
15.74 5.6307 3.6 (0,0,1)
17.60 5.0390 18.4 (0,1,0)
23.69 3.7550 2.9 (0,1,1)
30.09 2.9699 47.2 (1,0,-1)
31.78 2.8154 18.2 (0,0,2)
32.31 2.7709 1.8 (2,1,1)
35.63 2.5195 55.2 (0,2,0)
36.56 2.4578 45.9 (0,1,2)
37.03 2.4280 100.0 (2,2,1)
39.50 2.2814 29.2 (1,-1,-1)
40.46 2.2296 1.4 (2,2,0)
44.33 2.0432 4.3 (1,0,-2)
45.96 1.9749 14.2 (2,1,-1)
45.96 1.9749 14.2 (2,1,3)
48.49 1.8775 14.3 (0,2,2)
48.50 1.8769 2.4 (0,0,3)
48.86 1.8641 2.3 (2,3,1)
49.58 1.8387 26.6 (2,0,-1)
51.56 1.7725 2.0 (1,-1,-2)
51.56 1.7725 2.0 (1,2,3)
51.99 1.7589 3.7 (0,1,3)
54.24 1.6911 9.1 (1,-2,-1)
56.25 1.6355 8.0 (3,2,0)
59.47 1.5543 10.9 (2,-1,-1)
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Energy Properties

Formation Energy/atom
-0.62470
eV/atom
Energy/atom
-17.02087
eV/atom
Energy above Hull
0.0015
eV/atom
Uncorrected Energy
-17.0209
eV/atom
Volume/atom
14.29
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
146.854
GPa
GVRH
79.667
GPa
Young's Modulus E
202.401
GPa
Poisson Ratio ν
0.270
Pugh Ratio K/G
1.843
Vickers Hardness Est.
9.662
GPa
Ductility
Brittle
Anisotropy
0.226
Lame λ
93.743
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.455
Element Family
4d-TM
Solute Fraction
0.545
Interstitial Fraction
0.364

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0362
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6150
J/mol·K
Ω Parameter
1.9187
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
29.593%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4840
smaller = more stable mixing
VEC
5.545
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.258
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9432
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.466
Family
Rh-rich Multi-Component
Matrix Element
Rh · 0.455

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2260
Homogeneous Poisson ν
0.2700
Debye Temperature
479.6
K
Sound Velocity
3,570.1
m/s
Homogeneity
0.2700

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8896
Reference Citation

The crystal structure and related material properties of Sr2B4Rh5 were obtained from the Materials Project database (MP-ID: mp-8896, 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_Sr2B4Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54174745
_cell_length_b   5.75062221
_cell_length_c   6.27558001
_cell_angle_alpha   77.71658361
_cell_angle_beta   63.79829456
_cell_angle_gamma   61.19442469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2B4Rh5
_chemical_formula_sum   'Sr2 B4 Rh5'
_cell_volume   157.23871345
_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
  Sr  Sr0  1  0.14380102  0.00000000  0.71239896  1.0
  Sr  Sr1  1  0.85619898  0.00000000  0.28760104  1.0
  B  B2  1  0.20707107  0.32914186  0.25671600  1.0
  B  B3  1  0.79292893  0.67085814  0.74328400  1.0
  B  B4  1  0.46378707  0.32914186  0.74328400  1.0
  B  B5  1  0.53621293  0.67085814  0.25671600  1.0
  Rh  Rh6  1  0.50000000  0.00000000  -0.00000000  1.0
  Rh  Rh7  1  0.50000000  0.50000000  -0.00000000  1.0
  Rh  Rh8  1  -0.00000000  0.50000000  -0.00000000  1.0
  Rh  Rh9  1  0.25000000  0.50000000  0.50000000  1.0
  Rh  Rh10  1  0.75000000  0.50000000  0.50000000  1.0
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