HoSnIr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079423 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

HoSnIr

MP-ID

mp-1079423

Elements

Sites

Density

12.6681

g/cm³

Volume

187.13

Å³

Cell a

7.4878

Cell b

7.4878

Cell c

3.8539

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

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
23.77	3.7439	14.8	(2,-1,-1,0)
26.91	3.3130	11.6	(1,0,-1,1)
27.51	3.2423	5.4	(2,0,-2,0)
33.37	2.6854	100.0	(2,-1,-1,1)
36.21	2.4811	77.8	(2,0,-2,1)
36.21	2.4811	38.9	(2,-2,0,1)
36.67	2.4509	39.6	(3,-1,-2,0)
41.79	2.1615	40.9	(3,0,-3,0)
41.79	2.1615	20.5	(3,-3,0,0)
43.77	2.0681	43.9	(3,-1,-2,1)
47.17	1.9270	30.8	(0,0,0,2)
48.27	1.8853	1.6	(3,0,-3,1)
48.64	1.8719	8.9	(4,-2,-2,0)
50.76	1.7985	12.1	(4,-1,-3,0)
53.48	1.7133	3.3	(2,-1,-1,2)
54.50	1.6838	4.4	(4,-2,-2,1)
55.47	1.6565	1.5	(2,0,-2,2)
56.46	1.6298	11.6	(4,-1,-3,1)
56.79	1.6211	2.2	(4,0,-4,0)
61.18	1.5148	18.3	(3,-1,-2,2)
62.42	1.4877	1.8	(5,-2,-3,0)
64.82	1.4384	22.7	(3,0,-3,2)
64.82	1.4384	11.4	(3,-3,0,2)
66.02	1.4151	10.1	(5,-1,-4,0)

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Energy Properties

Formation Energy/atom

-0.84475

eV/atom

Energy/atom

-6.65998

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.6110

eV/atom

Volume/atom

20.79

Å³

c/a Ratio

0.5147

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

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

7.1562

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.430%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4125

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.118

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

Related Tasks

Related computation task IDs (5)

aaadncie aaadspmu aaaelzwn aaaeucvs aaafcrtn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079423

Reference Citation

The crystal structure and related material properties of HoSnIr were obtained from the Materials Project database (MP-ID: mp-1079423, 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_HoSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48774543
_cell_length_b   7.48774543
_cell_length_c   3.85391733
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999569
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoSnIr
_chemical_formula_sum   'Ho3 Sn3 Ir3'
_cell_volume   187.12645347
_cell_formula_units_Z   3
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  0.40551912  0.40551912  0.50000000  1.0
  Ho  Ho1  1  0.59448088  0.00000000  0.50000000  1.0
  Ho  Ho2  1  0.00000000  0.59448088  0.50000000  1.0
  Sn  Sn3  1  0.73769670  0.73769670  -0.00000000  1.0
  Sn  Sn4  1  0.26230330  1.00000000  -0.00000000  1.0
  Sn  Sn5  1  1.00000000  0.26230330  0.00000000  1.0
  Ir  Ir6  1  0.66666700  0.33333300  -0.00000000  1.0
  Ir  Ir7  1  0.33333300  0.66666700  -0.00000000  1.0
  Ir  Ir8  1  0.00000000  -0.00000000  0.50000000  1.0

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