Dy4Er8Ni5Sn

High-Entropy Materials HEA

MP-ID: mp-3296668 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Dy4Er8Ni5Sn

MP-ID

mp-3296668

Elements

Sites

Density

9.3212

g/cm³

Volume

427.60

Å³

Cell a

8.2237

Cell b

8.2237

Cell c

8.2237

α Angle

107.41

β Angle

109.58

γ Angle

111.44

Space Group

Immm

Point Group

mmm

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
13.19	6.7110	2.1	(1,0,-1)
13.36	6.6264	3.9	(1,0,0)
26.24	3.3964	3.6	(2,-2,0)
26.56	3.3555	17.8	(2,0,-2)
26.91	3.3132	7.8	(2,0,0)
29.08	3.0704	15.3	(2,-2,-1)
29.16	3.0627	27.5	(2,-1,-2)
29.72	3.0064	45.3	(2,-2,1)
29.87	2.9915	12.7	(2,-1,1)
30.37	2.9433	7.1	(2,1,-2)
30.44	2.9361	49.8	(2,1,-1)
32.70	2.7390	33.3	(3,-1,-1)
32.70	2.7390	100.0	(1,1,-3)
34.87	2.5726	4.5	(3,-2,-1)
35.06	2.5592	87.8	(3,-1,-2)
35.21	2.5487	21.9	(3,-2,0)
35.21	2.5487	65.8	(0,1,-3)
35.60	2.5217	9.2	(3,-1,0)
35.60	2.5217	27.5	(2,0,1)
35.71	2.5142	4.5	(3,0,-2)
35.91	2.5007	48.7	(3,0,-1)
36.93	2.4339	15.2	(2,-2,-2)
37.95	2.3706	9.6	(2,-2,2)
38.89	2.3159	28.8	(2,2,-2)

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Energy Properties

Formation Energy/atom

-0.40721

eV/atom

Energy/atom

-27.29529

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.2953

eV/atom

Volume/atom

23.76

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0798

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.444

Element Family

Lanthanide

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0686

J/mol·K

Ω Parameter

15.2444

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.218%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3232

smaller = more stable mixing

VEC

10.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.111

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfosy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296668

Reference Citation

The crystal structure and related material properties of Dy4Er8Ni5Sn were obtained from the Materials Project database (MP-ID: mp-3296668, 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_Dy4Er8Ni5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22365845
_cell_length_b   8.22365782
_cell_length_c   8.22365812
_cell_angle_alpha   107.41209604
_cell_angle_beta   109.58473793
_cell_angle_gamma   111.44187617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4Er8Ni5Sn
_chemical_formula_sum   'Dy4 Er8 Ni5 Sn1'
_cell_volume   427.59798234
_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  0.47644839  0.29501191  0.18143648  1.0
  Dy  Dy1  1  0.11357543  0.29501191  0.81856352  1.0
  Dy  Dy2  1  0.88642457  0.70498809  0.18143648  1.0
  Dy  Dy3  1  0.52355161  0.70498809  0.81856352  1.0
  Er  Er4  1  0.30696925  0.63017965  0.32321039  1.0
  Er  Er5  1  0.30696925  0.98375986  0.67678961  1.0
  Er  Er6  1  0.69303075  0.36982035  0.67678961  1.0
  Er  Er7  1  0.69303075  0.01624014  0.32321039  1.0
  Er  Er8  1  0.19152690  0.20940621  0.40093311  1.0
  Er  Er9  1  0.80847310  0.79059379  0.59906689  1.0
  Er  Er10  1  0.19152690  0.79059379  0.98211869  1.0
  Er  Er11  1  0.80847310  0.20940621  0.01788131  1.0
  Ni  Ni12  1  0.50000000  0.62525217  0.12525217  1.0
  Ni  Ni13  1  0.50000000  0.37474783  0.87474783  1.0
  Ni  Ni14  1  0.36542626  0.00000000  0.36542626  1.0
  Ni  Ni15  1  0.63457374  0.00000000  0.63457374  1.0
  Ni  Ni16  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn17  1  0.00000000  0.50000000  0.50000000  1.0

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