HoCuSn

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1024954 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

HoCuSn

MP-ID

mp-1024954

Elements

Sites

Density

9.1036

g/cm³

Volume

126.66

Å³

Cell a

4.4918

Cell b

4.4918

Cell c

7.2486

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
22.86	3.8900	10.4	(1,0,-1,0)
26.00	3.4276	14.0	(1,0,-1,1)
33.80	2.6517	100.0	(1,0,-1,2)
40.15	2.2459	66.8	(2,-1,-1,0)
44.12	2.0525	14.4	(1,0,-1,3)
46.70	1.9450	1.0	(2,0,-2,0)
48.46	1.8786	2.8	(2,0,-2,1)
50.35	1.8121	5.7	(0,0,0,4)
53.47	1.7138	27.3	(2,0,-2,2)
55.98	1.6427	5.8	(1,0,-1,4)
61.17	1.5151	5.5	(2,0,-2,3)
64.69	1.4410	1.7	(3,-1,-2,1)
66.27	1.4103	15.4	(2,-1,-1,4)
68.92	1.3625	8.5	(2,1,-3,2)
68.92	1.3625	17.1	(3,-1,-2,2)
69.15	1.3585	5.8	(1,0,-1,5)
71.10	1.3259	2.8	(2,0,-2,4)
72.96	1.2967	7.7	(3,0,-3,0)
72.96	1.2967	3.8	(3,-3,0,0)
75.73	1.2560	5.9	(3,-1,-2,3)
83.09	1.1624	3.6	(2,0,-2,5)
83.86	1.1537	4.4	(1,0,-1,6)
84.94	1.1418	3.4	(3,-1,-2,4)
86.71	1.1230	2.5	(2,2,-4,0)

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Energy Properties

Formation Energy/atom

-0.59118

eV/atom

Energy/atom

-4.82667

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.4955

eV/atom

Volume/atom

21.11

Å³

c/a Ratio

1.6137

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

79.602

GPa

G_VRH

53.287

GPa

Young's Modulus E

130.697

GPa

Poisson Ratio ν

0.226

Pugh Ratio K/G

1.494

Vickers Hardness Est.

9.799

GPa

Ductility

Ductile

Anisotropy

0.158

Lame λ

44.077

GPa

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

3.0802

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.680%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3309

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.556

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1580

Homogeneous Poisson ν

0.2260

Debye Temperature

357.6

Sound Velocity

2,678.7

m/s

Homogeneity

0.2260

Related Tasks

Related computation task IDs (5)

aaadonht aaadwand aaaelxup aaaepnel aaafbmzt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1024954

Reference Citation

The crystal structure and related material properties of HoCuSn were obtained from the Materials Project database (MP-ID: mp-1024954, 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_HoCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49182617
_cell_length_b   4.49182617
_cell_length_c   7.24857687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoCuSn
_chemical_formula_sum   'Ho2 Cu2 Sn2'
_cell_volume   126.65702487
_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  0.99247069  1.0
  Ho  Ho1  1  -0.00000000  -0.00000000  0.49247069  1.0
  Cu  Cu2  1  0.66666700  0.33333300  0.31853533  1.0
  Cu  Cu3  1  0.33333300  0.66666700  0.81853533  1.0
  Sn  Sn4  1  0.66666700  0.33333300  0.72299398  1.0
  Sn  Sn5  1  0.33333300  0.66666700  0.22299398  1.0

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