Dy(FeSn)6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-672392 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Dy(FeSn)6

MP-ID

mp-672392

Elements

Sites

Density

8.8177

g/cm³

Volume

1,139.17

Å³

Cell a

23.5604

Cell b

23.5604

Cell c

9.0005

α Angle

90.00

β Angle

90.00

γ Angle

166.82

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
10.53	8.4007	1.6	(1,-1,1)
19.73	4.5002	7.7	(0,0,2)
27.49	3.2447	3.6	(3,-2,2)
27.49	3.2442	1.8	(5,-5,2)
30.03	2.9758	14.3	(1,-1,3)
30.77	2.9062	2.0	(2,-2,3)
31.96	2.8002	1.8	(3,-3,3)
33.13	2.7039	50.1	(1,1,0)
33.14	2.7029	100.0	(8,-7,0)
33.57	2.6697	11.1	(4,-4,3)
34.23	2.6194	3.1	(1,0,3)
34.67	2.5872	20.5	(2,-1,3)
35.54	2.5262	1.8	(3,-2,3)
36.80	2.4423	17.7	(4,-3,3)
37.83	2.3781	8.3	(6,-6,3)
38.43	2.3424	2.3	(5,-4,3)
38.45	2.3414	29.7	(6,-4,0)
38.46	2.3405	14.8	(10,-10,0)
38.86	2.3177	45.7	(1,1,2)
38.87	2.3171	91.4	(8,-7,2)
40.07	2.2501	38.3	(0,0,4)
40.39	2.2332	2.1	(6,-5,3)
42.64	2.1204	12.0	(7,-6,3)
43.57	2.0771	48.5	(6,-4,2)

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Energy Properties

Formation Energy/atom

-0.10539

eV/atom

Energy/atom

-6.22046

eV/atom

Energy above Hull

0.0361

eV/atom

Uncorrected Energy

-6.2205

eV/atom

Volume/atom

17.53

Å³

c/a Ratio

0.3820

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

64.4676

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.056590

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Fe · 0.462

Element Family

3d-TM

Solute Fraction

0.538

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5742

J/mol·K

Ω Parameter

1.0651

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.936%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1904

smaller = more stable mixing

VEC

6.308

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

8.521

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8292

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.667

Family

Fe-rich Multi-Component

Matrix Element

Fe · 0.462

Related Tasks

Related computation task IDs (1)

aaacbcnf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-672392

Reference Citation

The crystal structure and related material properties of Dy(FeSn)6 were obtained from the Materials Project database (MP-ID: mp-672392, 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_Dy(FeSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.56039964
_cell_length_b   23.56039964
_cell_length_c   9.00048100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   166.81988907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy(FeSn)6
_chemical_formula_sum   'Dy5 Fe30 Sn30'
_cell_volume   1139.17498455
_cell_formula_units_Z   5
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  0.39984500  0.60015500  0.50000000  1.0
  Dy  Dy1  1  0.60015500  0.39984500  0.50000000  1.0
  Dy  Dy2  1  0.19984500  0.80015500  0.00000000  1.0
  Dy  Dy3  1  0.80015500  0.19984500  0.00000000  1.0
  Dy  Dy4  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe5  1  0.39986500  0.09995200  0.75002900  1.0
  Fe  Fe6  1  0.69998700  0.30001300  0.24906400  1.0
  Fe  Fe7  1  0.60013500  0.90004800  0.24997100  1.0
  Fe  Fe8  1  0.69998700  0.30001300  0.75093600  1.0
  Fe  Fe9  1  0.50000000  0.00000000  0.75110100  1.0
  Fe  Fe10  1  0.90004800  0.60013500  0.24997100  1.0
  Fe  Fe11  1  0.60013500  0.90004800  0.75002900  1.0
  Fe  Fe12  1  0.80009900  0.70015000  0.74880100  1.0
  Fe  Fe13  1  0.29985000  0.19990100  0.74880100  1.0
  Fe  Fe14  1  0.70015000  0.80009900  0.25119900  1.0
  Fe  Fe15  1  0.30001300  0.69998700  0.75093600  1.0
  Fe  Fe16  1  0.19990100  0.29985000  0.74880100  1.0
  Fe  Fe17  1  0.10006100  0.89993900  0.74907600  1.0
  Fe  Fe18  1  0.10006100  0.89993900  0.25092400  1.0
  Fe  Fe19  1  0.50000000  0.50000000  0.25116400  1.0
  Fe  Fe20  1  0.80009900  0.70015000  0.25119900  1.0
  Fe  Fe21  1  0.00000000  0.50000000  0.24889900  1.0
  Fe  Fe22  1  0.00000000  0.50000000  0.75110100  1.0
  Fe  Fe23  1  0.90004800  0.60013500  0.75002900  1.0
  Fe  Fe24  1  0.39986500  0.09995200  0.24997100  1.0
  Fe  Fe25  1  0.70015000  0.80009900  0.74880100  1.0
  Fe  Fe26  1  0.89993900  0.10006100  0.74907600  1.0
  Fe  Fe27  1  0.89993900  0.10006100  0.25092400  1.0
  Fe  Fe28  1  0.19990100  0.29985000  0.25119900  1.0
  Fe  Fe29  1  0.09995200  0.39986500  0.75002900  1.0
  Fe  Fe30  1  0.29985000  0.19990100  0.25119900  1.0
  Fe  Fe31  1  0.50000000  0.00000000  0.24889900  1.0
  Fe  Fe32  1  0.30001300  0.69998700  0.24906400  1.0
  Fe  Fe33  1  0.50000000  0.50000000  0.74883600  1.0
  Fe  Fe34  1  0.09995200  0.39986500  0.24997100  1.0
  Sn  Sn35  1  0.06653400  0.93346600  0.00000000  1.0
  Sn  Sn36  1  0.79998700  0.20001300  0.66575300  1.0
  Sn  Sn37  1  0.06662300  0.93337700  0.50000000  1.0
  Sn  Sn38  1  0.33341500  0.66658500  0.00000000  1.0
  Sn  Sn39  1  0.13306700  0.86693300  0.00000000  1.0
  Sn  Sn40  1  0.66699900  0.33300100  0.50000000  1.0
  Sn  Sn41  1  0.66658500  0.33341500  0.00000000  1.0
  Sn  Sn42  1  0.53348300  0.46651700  0.00000000  1.0
  Sn  Sn43  1  0.93337700  0.06662300  0.50000000  1.0
  Sn  Sn44  1  0.40021600  0.59978400  0.83443200  1.0
  Sn  Sn45  1  0.59978400  0.40021600  0.83443200  1.0
  Sn  Sn46  1  0.33300100  0.66699900  0.50000000  1.0
  Sn  Sn47  1  0.20001300  0.79998700  0.66575300  1.0
  Sn  Sn48  1  0.20001300  0.79998700  0.33424700  1.0
  Sn  Sn49  1  0.40021600  0.59978400  0.16556800  1.0
  Sn  Sn50  1  0.26672700  0.73327300  0.00000000  1.0
  Sn  Sn51  1  0.93346600  0.06653400  0.00000000  1.0
  Sn  Sn52  1  0.73331200  0.26668800  0.50000000  1.0
  Sn  Sn53  1  0.86647200  0.13352800  0.50000000  1.0
  Sn  Sn54  1  0.13352800  0.86647200  0.50000000  1.0
  Sn  Sn55  1  0.00000000  0.00000000  0.83410400  1.0
  Sn  Sn56  1  0.79998700  0.20001300  0.33424700  1.0
  Sn  Sn57  1  0.00000000  0.00000000  0.16589600  1.0
  Sn  Sn58  1  0.73327300  0.26672700  0.00000000  1.0
  Sn  Sn59  1  0.26668800  0.73331200  0.50000000  1.0
  Sn  Sn60  1  0.59978400  0.40021600  0.16556800  1.0
  Sn  Sn61  1  0.46651700  0.53348300  0.00000000  1.0
  Sn  Sn62  1  0.53340100  0.46659900  0.50000000  1.0
  Sn  Sn63  1  0.46659900  0.53340100  0.50000000  1.0
  Sn  Sn64  1  0.86693300  0.13306700  0.00000000  1.0

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