Ho3Zr2Sc3Pt4

High-Entropy Materials HEA

MP-ID: mp-3293107 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho3Zr2Sc3Pt4

MP-ID

mp-3293107

Elements

Sites

Density

10.0291

g/cm³

Volume

263.66

Å³

Cell a

4.6217

Cell b

6.9149

Cell c

8.2509

α Angle

89.22

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
10.72	8.2501	2.3	(0,0,1)
12.80	6.9143	6.2	(0,1,0)
16.62	5.3351	1.5	(0,1,1)
16.84	5.2642	9.9	(0,1,-1)
19.20	4.6217	10.0	(1,0,0)
21.54	4.1251	3.8	(0,0,2)
22.04	4.0321	2.8	(1,0,1)
23.15	3.8424	3.4	(1,1,0)
24.99	3.5639	39.2	(0,1,2)
25.29	3.5215	21.7	(0,1,-2)
25.50	3.4932	27.3	(1,1,1)
25.65	3.4731	73.2	(1,1,-1)
25.77	3.4571	11.3	(0,2,0)
27.84	3.2041	1.6	(0,2,1)
28.12	3.1732	1.8	(0,2,-1)
29.01	3.0775	1.4	(1,0,2)
31.70	2.8222	48.6	(1,1,2)
31.95	2.8011	46.0	(1,1,-2)
32.34	2.7683	12.4	(1,2,0)
32.56	2.7500	1.2	(0,0,3)
33.60	2.6675	23.0	(0,2,2)
34.05	2.6332	90.0	(1,2,1)
34.06	2.6321	22.6	(0,2,-2)
34.28	2.6160	90.5	(1,2,-1)

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Energy Properties

Formation Energy/atom

-1.04335

eV/atom

Energy/atom

-33.06752

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.0675

eV/atom

Volume/atom

21.97

Å³

c/a Ratio

1.7852

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0151

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000060

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

0.5600

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.919%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4627

smaller = more stable mixing

VEC

7.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-38.750

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9796

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjlz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293107

Reference Citation

The crystal structure and related material properties of Ho3Zr2Sc3Pt4 were obtained from the Materials Project database (MP-ID: mp-3293107, 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_Ho3Zr2Sc3Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62172369
_cell_length_b   6.91490436
_cell_length_c   8.25086940
_cell_angle_alpha   89.22195160
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Zr2Sc3Pt4
_chemical_formula_sum   'Ho3 Zr2 Sc3 Pt4'
_cell_volume   263.66338577
_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  0.48354919  0.18095336  1.0
  Ho  Ho1  1  0.75000000  0.01752087  0.67250622  1.0
  Ho  Ho2  1  0.75000000  0.51494877  0.82363211  1.0
  Zr  Zr3  1  0.75000000  0.13642447  0.08162983  1.0
  Zr  Zr4  1  0.75000000  0.64915943  0.42379812  1.0
  Sc  Sc5  1  0.25000000  0.85422151  0.92139349  1.0
  Sc  Sc6  1  0.25000000  0.35372359  0.57792778  1.0
  Sc  Sc7  1  0.25000000  0.98642734  0.32555703  1.0
  Pt  Pt8  1  0.25000000  0.24033820  0.90907666  1.0
  Pt  Pt9  1  0.25000000  0.74640952  0.58772099  1.0
  Pt  Pt10  1  0.75000000  0.75611256  0.09684943  1.0
  Pt  Pt11  1  0.75000000  0.26116455  0.39895499  1.0

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