Ho2B(PtRh2)2

High-Entropy Materials HEA

MP-ID: mp-3247428 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

Ho2B(PtRh2)2

MP-ID

mp-3247428

Elements

Sites

Density

13.7541

g/cm³

Volume

137.93

Å³

Cell a

5.8072

Cell b

5.7889

Cell c

5.8072

α Angle

60.10

β Angle

59.69

γ Angle

60.10

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
18.75	4.7327	12.9	(1,0,0)
21.73	4.0902	3.3	(1,1,0)
30.80	2.9035	4.2	(1,-1,0)
36.19	2.4819	2.7	(2,0,1)
36.38	2.4693	5.4	(1,2,0)
37.98	2.3689	100.0	(0,2,0)
38.03	2.3664	99.8	(2,0,0)
43.93	2.0612	34.2	(2,0,2)
44.29	2.0451	66.3	(2,2,0)
48.31	1.8841	2.1	(3,2,2)
48.53	1.8761	1.5	(2,0,-1)
58.51	1.5776	1.0	(3,0,0)
58.64	1.5743	1.3	(2,2,-1)
64.15	1.4518	43.7	(2,-2,0)
64.37	1.4472	10.7	(2,4,2)
64.49	1.4450	10.7	(2,0,-2)
76.79	1.2413	12.7	(2,-2,2)
76.81	1.2410	6.4	(2,0,4)
76.81	1.2410	6.4	(4,0,2)
77.28	1.2346	12.3	(2,4,0)
77.28	1.2346	12.3	(0,4,2)
77.36	1.2336	18.5	(2,2,-2)
77.36	1.2336	6.2	(4,2,0)
81.22	1.1844	5.6	(0,4,0)

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Energy Properties

Formation Energy/atom

-0.94475

eV/atom

Energy/atom

-31.23691

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.2369

eV/atom

Volume/atom

15.33

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

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 · 0.444

Element Family

4d-TM

Solute Fraction

0.556

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2730

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5840

J/mol·K

Ω Parameter

1.4977

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.071%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4287

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.799

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9183

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctxc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247428

Reference Citation

The crystal structure and related material properties of Ho2B(PtRh2)2 were obtained from the Materials Project database (MP-ID: mp-3247428, 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_Ho2B(PtRh2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80716957
_cell_length_b   5.78892774
_cell_length_c   5.80716996
_cell_angle_alpha   60.10386111
_cell_angle_beta   59.68948523
_cell_angle_gamma   60.10385908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2B(PtRh2)2
_chemical_formula_sum   'Ho2 B1 Pt2 Rh4'
_cell_volume   137.93023115
_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  0.25123030  0.24982926  0.24911018  1.0
  Ho  Ho1  1  0.75088982  0.75017074  0.74876970  1.0
  B  B2  1  0.99194309  0.00000000  0.00805691  1.0
  Pt  Pt3  1  0.25844672  0.25768275  0.74155428  1.0
  Pt  Pt4  1  0.25844772  0.74231725  0.74155328  1.0
  Rh  Rh5  1  0.74296669  0.25845274  0.25703431  1.0
  Rh  Rh6  1  0.25683051  0.74472647  0.25371855  1.0
  Rh  Rh7  1  0.74296569  0.74154726  0.25703531  1.0
  Rh  Rh8  1  0.74628145  0.25527553  0.74316949  1.0

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