HoB2Rh3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1025027 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

HoB2Rh3

MP-ID

mp-1025027

Elements

Sites

Density

10.5219

g/cm³

Volume

78.16

Å³

Cell a

3.1444

Cell b

5.3580

Cell c

5.3574

α Angle

59.99

β Angle

90.00

γ Angle

90.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
19.13	4.6401	5.3	(0,1,-1,1)
19.13	4.6398	5.3	(0,1,-1,0)
19.13	4.6393	5.3	(0,0,0,1)
28.38	3.1444	20.1	(1,0,-1,0)
33.45	2.6790	3.6	(0,2,-2,1)
33.45	2.6787	3.6	(0,1,-1,2)
33.45	2.6785	3.6	(0,1,-1,-1)
34.45	2.6031	42.2	(1,1,-2,1)
34.45	2.6030	42.2	(1,-1,0,-1)
34.45	2.6030	42.2	(1,1,-2,0)
34.46	2.6030	42.2	(1,-1,0,0)
34.46	2.6029	42.2	(1,0,-1,1)
34.46	2.6029	42.2	(1,0,-1,-1)
38.82	2.3200	100.0	(0,2,-2,2)
38.82	2.3199	100.0	(0,2,-2,0)
38.82	2.3196	100.0	(0,0,0,2)
44.42	2.0393	24.5	(1,2,-3,1)
44.43	2.0392	24.5	(1,-2,1,-1)
44.43	2.0391	24.5	(1,1,-2,2)
44.43	2.0391	24.5	(1,-1,0,-2)
44.43	2.0390	24.5	(1,1,-2,-1)
44.43	2.0390	24.5	(1,-1,0,1)
48.78	1.8669	5.9	(1,2,-3,2)
48.78	1.8669	5.9	(1,-2,1,-2)

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Energy Properties

Formation Energy/atom

-0.70413

eV/atom

Energy/atom

-7.37903

eV/atom

Energy above Hull

0.0082

eV/atom

Uncorrected Energy

-20.7842

eV/atom

Volume/atom

13.03

Å³

c/a Ratio

1.7038

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

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

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

1.9731

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.300%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3714

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.335

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.486

Family

Interstitial Alloy

Matrix Element

Rh · 0.500

Related Tasks

Related computation task IDs (5)

aaadmjwk aaadsolv aaaemtdj aaaeuley aaafjilk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025027

Reference Citation

The crystal structure and related material properties of HoB2Rh3 were obtained from the Materials Project database (MP-ID: mp-1025027, 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_HoB2Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14443715
_cell_length_b   5.35800231
_cell_length_c   5.35735912
_cell_angle_alpha   59.99257824
_cell_angle_beta   89.99941001
_cell_angle_gamma   89.99933179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoB2Rh3
_chemical_formula_sum   'Ho1 B2 Rh3'
_cell_volume   78.16183062
_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
  Ho  Ho0  1  0.50000000  0.50000000  0.99999900  1.0
  B  B1  1  0.50000000  0.16670435  0.66661971  1.0
  B  B2  1  0.50000000  0.83329565  0.33338129  1.0
  Rh  Rh3  1  0.00000000  0.00000000  0.50000100  1.0
  Rh  Rh4  1  0.00000000  0.50000000  0.49999900  1.0
  Rh  Rh5  1  -0.00000000  0.00000000  -0.00000000  1.0

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