Ho2B(PdPt2)2

High-Entropy Materials HEA

MP-ID: mp-3247420 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

Ho2B(PdPt2)2

MP-ID

mp-3247420

Elements

Sites

Density

15.2353

g/cm³

Volume

145.38

Å³

Cell a

5.8893

Cell b

5.8893

Cell c

6.0793

α Angle

58.93

β Angle

58.93

γ Angle

58.87

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
18.12	4.8967	4.7	(0,0,1)
18.12	4.8967	4.7	(1,1,1)
21.19	4.1921	1.1	(1,0,1)
21.51	4.1313	1.0	(1,1,0)
29.38	3.0397	1.0	(1,1,2)
36.05	2.4916	3.8	(1,-1,1)
36.71	2.4484	100.0	(0,0,2)
37.96	2.3704	92.4	(2,0,0)
43.16	2.0961	65.3	(2,0,2)
43.83	2.0657	31.5	(2,2,0)
47.99	1.8957	1.8	(2,0,-1)
56.55	1.6275	1.6	(2,0,3)
60.96	1.5198	11.4	(2,2,4)
63.20	1.4713	42.1	(2,0,-2)
64.38	1.4471	10.1	(2,-2,0)
74.11	1.2794	25.1	(2,0,4)
75.84	1.2544	6.0	(2,2,-2)
75.84	1.2544	6.0	(4,4,2)
76.46	1.2458	11.9	(2,-2,2)
76.46	1.2458	11.9	(4,0,2)
76.63	1.2435	6.0	(4,2,0)
76.63	1.2435	6.0	(2,4,0)
78.06	1.2242	5.5	(0,0,4)
78.06	1.2242	5.5	(4,4,4)

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Energy Properties

Formation Energy/atom

-1.05086

eV/atom

Energy/atom

-37.15984

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.1598

eV/atom

Volume/atom

16.15

Å³

c/a Ratio

1.0323

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Pt · 0.444

Element Family

5d-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

1.4583

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.638%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4191

smaller = more stable mixing

VEC

9.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.223

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9183

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctwu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247420

Reference Citation

The crystal structure and related material properties of Ho2B(PdPt2)2 were obtained from the Materials Project database (MP-ID: mp-3247420, 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(PdPt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88929789
_cell_length_b   5.88929786
_cell_length_c   6.07930275
_cell_angle_alpha   58.92689816
_cell_angle_beta   58.92689832
_cell_angle_gamma   58.87029437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2B(PdPt2)2
_chemical_formula_sum   'Ho2 B1 Pd2 Pt4'
_cell_volume   145.38012158
_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  0.24555326  0.24555326  0.25626997  1.0
  Ho  Ho1  1  0.75444674  0.75444674  0.74737550  1.0
  B  B2  1  0.49999900  0.49999900  0.49264970  1.0
  Pd  Pd3  1  0.75194308  0.24805592  0.76164057  1.0
  Pd  Pd4  1  0.24805592  0.75194308  0.76164057  1.0
  Pt  Pt5  1  0.75491837  0.24508063  0.23633733  1.0
  Pt  Pt6  1  0.24508063  0.75491837  0.23633733  1.0
  Pt  Pt7  1  0.75434127  0.75434127  0.24953026  1.0
  Pt  Pt8  1  0.24565773  0.24565773  0.75821379  1.0

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