DyHo5(SnIr)6

High-Entropy Materials HEA

MP-ID: mp-3292600 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

DyHo5(SnIr)6

MP-ID

mp-3292600

Elements

Sites

Density

12.6146

g/cm³

Volume

375.52

Å³

Cell a

7.4153

Cell b

7.4208

Cell c

7.8787

α Angle

90.00

β Angle

90.00

γ Angle

119.98

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
22.57	3.9393	1.1	(0,0,0,2)
23.98	3.7104	12.8	(1,-2,1,0)
23.99	3.7099	12.7	(1,1,-2,0)
24.00	3.7076	12.6	(2,-1,-1,0)
26.54	3.3587	9.3	(0,1,-1,2)
26.54	3.3582	9.3	(1,-1,0,2)
26.54	3.3580	9.3	(1,0,-1,2)
27.76	3.2138	4.6	(0,2,-2,0)
27.78	3.2119	4.5	(2,-2,0,0)
27.78	3.2114	4.5	(2,0,-2,0)
33.17	2.7010	83.1	(1,-2,1,2)
33.17	2.7008	82.9	(1,1,-2,2)
33.18	2.6999	83.5	(2,-1,-1,2)
36.07	2.4902	98.8	(0,2,-2,2)
36.08	2.4893	99.9	(2,-2,0,2)
36.08	2.4891	100.0	(2,0,-2,2)
37.00	2.4293	16.9	(1,-3,2,0)
37.01	2.4291	17.0	(1,2,-3,0)
37.01	2.4287	16.7	(2,-3,1,0)
37.02	2.4283	16.7	(2,1,-3,0)
37.04	2.4274	16.6	(3,-2,-1,0)
37.04	2.4272	16.6	(3,-1,-2,0)
42.18	2.1426	47.7	(0,3,-3,0)
42.20	2.1412	47.7	(3,-3,0,0)

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Energy Properties

Formation Energy/atom

-0.94948

eV/atom

Energy/atom

-37.56180

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.5618

eV/atom

Volume/atom

20.86

Å³

c/a Ratio

1.0625

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.2304

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000610

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.333

Element Family

PostTransition-Noble

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2488

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3825

J/mol·K

Ω Parameter

8.1197

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.430%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4133

smaller = more stable mixing

VEC

7.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.118

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9008

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfism

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292600

Reference Citation

The crystal structure and related material properties of DyHo5(SnIr)6 were obtained from the Materials Project database (MP-ID: mp-3292600, 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_DyHo5(SnIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41527365
_cell_length_b   7.42083183
_cell_length_c   7.87865069
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98396303
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHo5(SnIr)6
_chemical_formula_sum   'Dy1 Ho5 Sn6 Ir6'
_cell_volume   375.51942673
_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
  Dy  Dy0  1  0.40688620  0.99970014  0.75000000  1.0
  Ho  Ho1  1  0.40657057  0.00048184  0.25000000  1.0
  Ho  Ho2  1  0.59349337  0.59330798  0.75000000  1.0
  Ho  Ho3  1  0.59337276  0.59373405  0.25000000  1.0
  Ho  Ho4  1  0.99921134  0.40600606  0.25000000  1.0
  Ho  Ho5  1  0.00080061  0.40692731  0.75000000  1.0
  Sn  Sn6  1  0.25880363  0.25894199  0.49974239  1.0
  Sn  Sn7  1  0.25880363  0.25894199  0.00025761  1.0
  Sn  Sn8  1  0.74109640  0.00006992  0.00016467  1.0
  Sn  Sn9  1  0.99991308  0.74102263  0.49968496  1.0
  Sn  Sn10  1  0.74109640  0.00006992  0.49983533  1.0
  Sn  Sn11  1  0.99991308  0.74102263  0.00031504  1.0
  Ir  Ir12  1  0.66716620  0.33395975  0.49969453  1.0
  Ir  Ir13  1  0.66716620  0.33395975  0.00030547  1.0
  Ir  Ir14  1  0.33319657  0.66606193  0.00113764  1.0
  Ir  Ir15  1  0.33319657  0.66606193  0.49886236  1.0
  Ir  Ir16  1  0.99964961  0.99982157  0.75000000  1.0
  Ir  Ir17  1  0.99966477  0.99990963  0.25000000  1.0

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