Dy17Er3Sn7Pb9

High-Entropy Materials HEA

MP-ID: mp-3296211 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy17Er3Sn7Pb9

MP-ID

mp-3296211

Elements

Sites

Density

9.6655

g/cm³

Volume

1,023.94

Å³

Cell a

8.1040

Cell b

8.1706

Cell c

15.4640

α Angle

90.00

β Angle

90.00

γ Angle

90.10

Space Group

Point Group

Crystal System

Monoclinic

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
5.72	15.4640	1.2	(0,0,1)
15.39	5.7590	3.8	(1,-1,0)
15.41	5.7486	2.1	(1,1,0)
16.43	5.3969	4.6	(1,-1,1)
16.45	5.3884	2.0	(1,1,1)
19.24	4.6133	1.2	(1,1,2)
21.75	4.0853	9.4	(0,2,0)
21.94	4.0520	11.8	(2,0,0)
22.69	3.9197	1.7	(2,0,1)
23.16	3.8408	5.4	(1,-1,3)
23.18	3.8378	7.6	(1,1,3)
24.38	3.6506	1.4	(1,-2,0)
24.42	3.6454	1.6	(1,2,0)
24.50	3.6327	8.4	(2,-1,0)
24.54	3.6275	7.9	(2,1,0)
24.65	3.6121	8.7	(0,2,2)
24.81	3.5890	6.4	(2,0,2)
25.06	3.5530	6.0	(1,-2,1)
25.10	3.5481	7.4	(1,2,1)
25.18	3.5365	1.8	(2,-1,1)
25.22	3.5317	3.8	(2,1,1)
27.01	3.3012	2.7	(1,-2,2)
27.04	3.2973	1.9	(1,2,2)
27.12	3.2879	14.1	(2,-1,2)

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Energy Properties

Formation Energy/atom

-0.79865

eV/atom

Energy/atom

-37.61133

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.6113

eV/atom

Volume/atom

28.44

Å³

c/a Ratio

1.9082

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0546

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.472

Element Family

Lanthanide

Solute Fraction

0.528

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2264

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1962

J/mol·K

Ω Parameter

62.4984

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.576%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4853

smaller = more stable mixing

VEC

7.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.194

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8846

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfobj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296211

Reference Citation

The crystal structure and related material properties of Dy17Er3Sn7Pb9 were obtained from the Materials Project database (MP-ID: mp-3296211, 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_Dy17Er3Sn7Pb9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10403445
_cell_length_b   8.17061082
_cell_length_c   15.46398700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.10324334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy17Er3Sn7Pb9
_chemical_formula_sum   'Dy17 Er3 Sn7 Pb9'
_cell_volume   1023.94486893
_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  0.37975410  0.84073689  0.87837603  1.0
  Dy  Dy1  1  0.88012662  0.65882516  0.62199210  1.0
  Dy  Dy2  1  0.61984597  0.15876215  0.37921007  1.0
  Dy  Dy3  1  0.12038599  0.33977315  0.12120673  1.0
  Dy  Dy4  1  0.61984597  0.15876215  0.12078993  1.0
  Dy  Dy5  1  0.12038599  0.33977315  0.37879327  1.0
  Dy  Dy6  1  0.37975410  0.84073689  0.62162397  1.0
  Dy  Dy7  1  0.88012662  0.65882516  0.87800790  1.0
  Dy  Dy8  1  0.53706026  0.32482249  0.89595681  1.0
  Dy  Dy9  1  0.03750904  0.17488138  0.60385675  1.0
  Dy  Dy10  1  0.46490519  0.67560730  0.39753138  1.0
  Dy  Dy11  1  0.96149008  0.82690629  0.10132707  1.0
  Dy  Dy12  1  0.46490519  0.67560730  0.10246862  1.0
  Dy  Dy13  1  0.96149008  0.82690629  0.39867293  1.0
  Dy  Dy14  1  0.53706026  0.32482249  0.60404319  1.0
  Dy  Dy15  1  0.03750904  0.17488138  0.89614325  1.0
  Dy  Dy16  1  0.78510960  0.49551051  0.25000000  1.0
  Er  Er17  1  0.21311221  0.50326142  0.75000000  1.0
  Er  Er18  1  0.71295852  0.99651685  0.75000000  1.0
  Er  Er19  1  0.28813367  0.00567568  0.25000000  1.0
  Sn  Sn20  1  0.57670050  0.62337313  0.75000000  1.0
  Sn  Sn21  1  0.07695701  0.87669336  0.75000000  1.0
  Sn  Sn22  1  0.42312841  0.37497080  0.25000000  1.0
  Sn  Sn23  1  0.92299418  0.12175663  0.25000000  1.0
  Sn  Sn24  1  0.34545144  0.14727892  0.75000000  1.0
  Sn  Sn25  1  0.84589052  0.35205046  0.75000000  1.0
  Sn  Sn26  1  0.65473603  0.85331281  0.25000000  1.0
  Pb  Pb27  1  0.27899273  0.03182021  0.04250963  1.0
  Pb  Pb28  1  0.77944974  0.46746136  0.45791923  1.0
  Pb  Pb29  1  0.72093930  0.96801728  0.54352545  1.0
  Pb  Pb30  1  0.22124107  0.53167313  0.95713129  1.0
  Pb  Pb31  1  0.72093930  0.96801728  0.95647455  1.0
  Pb  Pb32  1  0.22124107  0.53167313  0.54286871  1.0
  Pb  Pb33  1  0.27899273  0.03182021  0.45749037  1.0
  Pb  Pb34  1  0.77944974  0.46746136  0.04208077  1.0
  Pb  Pb35  1  0.15142075  0.65102486  0.25000000  1.0

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