Ho2Tm3Hf3Pt4

High-Entropy Materials HEA

MP-ID: mp-3294866 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho2Tm3Hf3Pt4

MP-ID

mp-3294866

Elements

Sites

Density

13.2779

g/cm³

Volume

269.19

Å³

Cell a

4.6793

Cell b

6.9880

Cell c

8.2329

α Angle

89.37

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
10.75	8.2324	1.4	(0,0,1)
16.55	5.3566	2.1	(0,1,1)
16.73	5.2985	4.8	(0,1,-1)
21.59	4.1162	6.3	(0,0,2)
21.85	4.0681	4.5	(1,0,1)
24.99	3.5638	2.5	(0,1,2)
25.23	3.5296	1.6	(0,1,-2)
25.27	3.5240	3.7	(1,1,1)
25.39	3.5073	4.3	(1,1,-1)
25.50	3.4938	4.4	(0,2,0)
31.56	2.8352	56.0	(1,1,2)
31.76	2.8178	65.6	(1,1,-2)
31.97	2.7995	31.0	(1,2,0)
33.46	2.6783	15.1	(0,2,2)
33.73	2.6576	68.6	(1,2,1)
33.84	2.6492	18.6	(0,2,-2)
33.91	2.6433	62.5	(1,2,-1)
35.00	2.5639	12.2	(0,1,3)
35.27	2.5447	11.3	(0,1,-3)
38.01	2.3671	100.0	(1,0,3)
38.48	2.3397	90.6	(2,0,0)
38.74	2.3245	3.1	(1,2,2)
39.07	2.3054	2.1	(1,2,-2)
40.10	2.2485	3.3	(1,1,3)

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Energy Properties

Formation Energy/atom

-1.04189

eV/atom

Energy/atom

-43.75280

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-43.7528

eV/atom

Volume/atom

22.43

Å³

c/a Ratio

1.7594

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0031

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.333

Element Family

5d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3580

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.2902

J/mol·K

Ω Parameter

1.2627

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.743%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4797

smaller = more stable mixing

VEC

9.417

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.333

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9796

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmbq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294866

Reference Citation

The crystal structure and related material properties of Ho2Tm3Hf3Pt4 were obtained from the Materials Project database (MP-ID: mp-3294866, 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_Ho2Tm3Hf3Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67929008
_cell_length_b   6.98797564
_cell_length_c   8.23288058
_cell_angle_alpha   89.36702060
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Tm3Hf3Pt4
_chemical_formula_sum   'Ho2 Tm3 Hf3 Pt4'
_cell_volume   269.18860008
_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  0.25000000  0.98752296  0.32811695  1.0
  Ho  Ho1  1  0.25000000  0.47910192  0.17053923  1.0
  Tm  Tm2  1  0.75000000  0.64540844  0.41727200  1.0
  Tm  Tm3  1  0.75000000  0.02012088  0.68284055  1.0
  Tm  Tm4  1  0.75000000  0.51842147  0.81932907  1.0
  Hf  Hf5  1  0.25000000  0.85971730  0.92325983  1.0
  Hf  Hf6  1  0.25000000  0.35436049  0.57892214  1.0
  Hf  Hf7  1  0.75000000  0.14591623  0.07880585  1.0
  Pt  Pt8  1  0.25000000  0.23246917  0.90395919  1.0
  Pt  Pt9  1  0.25000000  0.73328311  0.60898332  1.0
  Pt  Pt10  1  0.75000000  0.77056500  0.07914715  1.0
  Pt  Pt11  1  0.75000000  0.25311404  0.40882672  1.0

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