Er3Hf5Pt4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294864 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Er3Hf5Pt4

MP-ID

mp-3294864

Elements

Sites

Density

14.0431

g/cm³

Volume

257.13

Å³

Cell a

4.6181

Cell b

6.8739

Cell c

8.1002

α Angle

90.08

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
16.90	5.2448	3.1	(0,1,-1)
16.93	5.2374	2.1	(0,1,1)
21.95	4.0501	5.7	(0,0,2)
22.16	4.0119	4.0	(1,0,1)
25.51	3.4916	2.1	(0,1,-2)
25.54	3.4873	1.6	(0,1,2)
25.70	3.4660	2.9	(1,1,-1)
25.72	3.4639	3.4	(1,1,1)
25.92	3.4369	5.0	(0,2,0)
32.14	2.7852	60.6	(1,1,-2)
32.16	2.7830	54.2	(1,1,2)
32.47	2.7572	27.5	(1,2,0)
34.19	2.6224	16.7	(0,2,-2)
34.24	2.6187	19.4	(0,2,2)
34.35	2.6110	69.5	(1,2,-1)
34.37	2.6092	63.8	(1,2,1)
35.71	2.5144	10.9	(0,1,-3)
35.75	2.5119	10.8	(0,1,3)
38.63	2.3309	100.0	(1,0,3)
39.01	2.3091	88.1	(2,0,0)
39.52	2.2804	2.4	(1,2,-2)
39.56	2.2780	1.7	(1,2,2)
40.87	2.2083	2.0	(1,1,-3)
40.90	2.2066	1.9	(1,1,3)

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Energy Properties

Formation Energy/atom

-0.97750

eV/atom

Energy/atom

-45.43452

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-45.4345

eV/atom

Volume/atom

21.43

Å³

c/a Ratio

1.7540

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

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

Hf · 0.417

Element Family

5d-TM

Solute Fraction

0.583

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0776

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.9588

J/mol·K

Ω Parameter

0.6377

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.822%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4732

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.556

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9808

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.432

Family

Hf-rich Multi-Component

Matrix Element

Hf · 0.417

Related Tasks

Related computation task IDs (1)

aaahfmbo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294864

Reference Citation

The crystal structure and related material properties of Er3Hf5Pt4 were obtained from the Materials Project database (MP-ID: mp-3294864, 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_Er3Hf5Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61809575
_cell_length_b   6.87389071
_cell_length_c   8.10017203
_cell_angle_alpha   90.08138470
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Hf5Pt4
_chemical_formula_sum   'Er3 Hf5 Pt4'
_cell_volume   257.13391375
_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
  Er  Er0  1  0.25000000  0.48531172  0.17791793  1.0
  Er  Er1  1  0.75000000  0.01661653  0.68018218  1.0
  Er  Er2  1  0.25000000  0.98578464  0.32135585  1.0
  Hf  Hf3  1  0.75000000  0.64987229  0.42392237  1.0
  Hf  Hf4  1  0.25000000  0.35559908  0.58303398  1.0
  Hf  Hf5  1  0.75000000  0.14864851  0.07962966  1.0
  Hf  Hf6  1  0.25000000  0.84772226  0.91897206  1.0
  Hf  Hf7  1  0.75000000  0.51430874  0.82533250  1.0
  Pt  Pt8  1  0.75000000  0.26839756  0.40425986  1.0
  Pt  Pt9  1  0.25000000  0.73291186  0.59603592  1.0
  Pt  Pt10  1  0.75000000  0.75806532  0.08519577  1.0
  Pt  Pt11  1  0.25000000  0.23676149  0.90416091  1.0

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