YHoAl3Pt4

High-Entropy Materials HEA

MP-ID: mp-3296832 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

YHoAl3Pt4

MP-ID

mp-3296832

Elements

Sites

Density

11.6585

g/cm³

Volume

317.65

Å³

Cell a

8.0848

Cell b

8.0848

Cell c

7.5418

α Angle

89.89

β Angle

90.11

γ Angle

139.88

Space Group

C2/m

Point Group

2/m

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
11.65	7.5943	3.4	(1,-1,0)
11.73	7.5418	4.3	(0,0,1)
16.55	5.3569	3.2	(1,-1,-1)
16.58	5.3457	6.8	(1,-1,1)
17.02	5.2097	3.1	(1,0,0)
23.43	3.7971	7.2	(2,-2,0)
26.25	3.3944	29.9	(2,-2,-1)
26.30	3.3887	15.9	(2,-2,1)
26.37	3.3802	22.2	(1,-1,-2)
26.41	3.3746	38.9	(1,-1,2)
26.59	3.3521	26.5	(2,-1,-1)
26.63	3.3480	15.2	(2,-1,1)
32.28	2.7731	5.4	(1,1,0)
33.46	2.6784	2.0	(2,-2,-2)
33.53	2.6729	3.7	(2,-2,2)
33.73	2.6572	5.3	(1,-2,-2)
33.73	2.6572	5.3	(2,-1,-2)
33.78	2.6531	12.8	(2,-1,2)
34.43	2.6049	27.6	(2,0,0)
35.46	2.5314	1.1	(3,-3,0)
35.72	2.5136	52.5	(3,-2,-1)
35.76	2.5107	49.6	(3,-2,1)
36.49	2.4627	34.4	(2,0,-1)
36.50	2.4616	30.5	(2,0,1)

Get direct link

Energy Properties

Formation Energy/atom

-1.28016

eV/atom

Energy/atom

-32.31818

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.3182

eV/atom

Volume/atom

17.65

Å³

c/a Ratio

0.9328

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0011

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

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2149

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1006

J/mol·K

Ω Parameter

0.3475

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.369%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4329

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-46.828

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8764

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfozg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296832

Reference Citation

The crystal structure and related material properties of YHoAl3Pt4 were obtained from the Materials Project database (MP-ID: mp-3296832, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_YHoAl3Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08476622
_cell_length_b   8.08476659
_cell_length_c   7.54176833
_cell_angle_alpha   89.88781691
_cell_angle_beta   90.11218404
_cell_angle_gamma   139.88010251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHoAl3Pt4
_chemical_formula_sum   'Y2 Ho2 Al6 Pt8'
_cell_volume   317.65483518
_cell_formula_units_Z   2
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
  Y  Y0  1  0.10619318  0.89380682  0.40832726  1.0
  Y  Y1  1  0.89380682  0.10619318  0.59167274  1.0
  Ho  Ho2  1  0.39421389  0.60578611  0.90851363  1.0
  Ho  Ho3  1  0.60578611  0.39421389  0.09148637  1.0
  Al  Al4  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al6  1  0.02123340  0.47863534  0.24945780  1.0
  Al  Al7  1  0.47863534  0.02123340  0.75054220  1.0
  Al  Al8  1  0.97876660  0.52136466  0.75054220  1.0
  Al  Al9  1  0.52136466  0.97876660  0.24945780  1.0
  Pt  Pt10  1  0.19004964  0.31119191  0.24863283  1.0
  Pt  Pt11  1  0.31119191  0.19004964  0.75136717  1.0
  Pt  Pt12  1  0.80995036  0.68880809  0.75136717  1.0
  Pt  Pt13  1  0.68880809  0.80995036  0.24863283  1.0
  Pt  Pt14  1  0.18280909  0.81719091  0.02665731  1.0
  Pt  Pt15  1  0.81719091  0.18280909  0.97334269  1.0
  Pt  Pt16  1  0.31657484  0.68342516  0.52701625  1.0
  Pt  Pt17  1  0.68342516  0.31657484  0.47298375  1.0

Get direct link