HoSnAu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1076971 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoSnAu

MP-ID

mp-1076971

Elements

Sites

Density

11.1999

g/cm³

Volume

142.51

Å³

Cell a

4.7179

Cell b

4.7179

Cell c

7.3931

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 20)

2θ	d (Å)	I	hkl
24.07	3.6966	8.3	(0,0,0,2)
24.90	3.5761	8.2	(1,0,-1,1)
32.67	2.7412	100.0	(1,0,-1,2)
38.15	2.3590	74.0	(2,-1,-1,0)
42.85	2.1102	2.0	(1,0,-1,3)
45.62	1.9886	9.7	(2,-1,-1,2)
46.10	1.9691	1.6	(2,0,-2,1)
49.30	1.8483	12.0	(0,0,0,4)
51.08	1.7880	28.9	(2,0,-2,2)
64.00	1.4549	33.2	(2,-1,-1,4)
65.51	1.4250	27.6	(3,-1,-2,2)
68.95	1.3619	4.5	(3,-3,0,0)
68.95	1.3619	8.9	(3,0,-3,0)
74.20	1.2780	1.7	(3,0,-3,2)
81.61	1.1797	7.6	(1,0,-1,6)
81.63	1.1795	5.8	(4,-2,-2,0)
81.63	1.1795	2.9	(2,2,-4,0)
86.64	1.1237	1.2	(4,-2,-2,2)
89.36	1.0964	14.5	(3,0,-3,4)
89.80	1.0922	1.7	(2,-1,-1,6)

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Energy Properties

Formation Energy/atom

-0.70122

eV/atom

Energy/atom

-4.66159

eV/atom

Energy above Hull

0.1442

eV/atom

Uncorrected Energy

-4.6616

eV/atom

Volume/atom

23.75

Å³

c/a Ratio

1.5670

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0033

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

1.7685

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.473%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5360

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.157

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.333

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.333

Related Tasks

Related computation task IDs (5)

aaaddsrx aaadmlak aaadsxbw aaaerjkk aaafdemd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076971

Reference Citation

The crystal structure and related material properties of HoSnAu were obtained from the Materials Project database (MP-ID: mp-1076971, 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_HoSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71790425
_cell_length_b   4.71790425
_cell_length_c   7.39311800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000344
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoSnAu
_chemical_formula_sum   'Ho2 Sn2 Au2'
_cell_volume   142.51366174
_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
  Ho  Ho0  1  0.00000000  0.00000000  0.50000000  1.0
  Ho  Ho1  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn2  1  0.33333300  0.66666700  0.75000000  1.0
  Sn  Sn3  1  0.66666700  0.33333300  0.25000000  1.0
  Au  Au4  1  0.33333300  0.66666700  0.25000000  1.0
  Au  Au5  1  0.66666700  0.33333300  0.75000000  1.0

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