Dy6FeTe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-10516 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

Dy6FeTe2

MP-ID

mp-10516

Elements

Sites

Density

8.8744

g/cm³

Volume

240.64

Å³

Cell a

8.3040

Cell b

8.3038

Cell c

4.0297

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
22.06	4.0297	4.4	(0,0,0,1)
25.34	3.5154	1.7	(1,0,-1,1)
25.34	3.5154	1.7	(1,-1,0,1)
25.34	3.5154	1.7	(0,1,-1,1)
30.92	2.8917	100.0	(2,-1,-1,1)
30.92	2.8916	50.0	(1,-2,1,1)
32.95	2.7181	33.8	(3,-1,-2,0)
32.95	2.7181	33.8	(3,-2,-1,0)
32.95	2.7181	33.8	(2,-3,1,0)
33.40	2.6829	30.6	(2,0,-2,1)
33.40	2.6829	61.2	(2,-2,0,1)
37.52	2.3972	13.4	(3,0,-3,0)
37.52	2.3971	26.8	(3,-3,0,0)
40.01	2.2534	13.6	(3,-1,-2,1)
40.01	2.2534	6.8	(3,-2,-1,1)
40.01	2.2534	6.8	(1,2,-3,1)
40.01	2.2534	13.6	(2,-3,1,1)
43.60	2.0760	4.5	(4,-2,-2,0)
43.60	2.0759	2.3	(2,-4,2,0)
44.99	2.0148	30.2	(0,0,0,2)
45.47	1.9946	3.8	(4,-1,-3,0)
45.48	1.9945	3.8	(4,-3,-1,0)
45.48	1.9945	1.9	(3,-4,1,0)
45.48	1.9945	1.9	(1,-4,3,0)

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Energy Properties

Formation Energy/atom

-0.69635

eV/atom

Energy/atom

-5.41489

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.2582

eV/atom

Volume/atom

26.74

Å³

c/a Ratio

0.4853

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1462

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.004760

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.796%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3796

smaller = more stable mixing

VEC

8.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.552

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.667

Related Tasks

Related computation task IDs (5)

aaadnaih aaadsnxv aaaemakg aaaerfwi aaafcddr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10516

Reference Citation

The crystal structure and related material properties of Dy6FeTe2 were obtained from the Materials Project database (MP-ID: mp-10516, 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_Dy6FeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30401594
_cell_length_b   8.30377422
_cell_length_c   4.02965596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99904002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy6FeTe2
_chemical_formula_sum   'Dy6 Fe1 Te2'
_cell_volume   240.63927374
_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  0.60056062  -0.00000132  0.50000000  1.0
  Dy  Dy1  1  0.39943938  0.39943907  0.50000000  1.0
  Dy  Dy2  1  0.00000000  0.60058577  0.50000000  1.0
  Dy  Dy3  1  -0.00000000  0.23739205  0.00000000  1.0
  Dy  Dy4  1  0.76260083  0.76259446  -0.00000000  1.0
  Dy  Dy5  1  0.23739917  -0.00000737  0.00000000  1.0
  Fe  Fe6  1  0.00000000  -0.00002670  0.50000000  1.0
  Te  Te7  1  0.33335038  0.66668771  0.00000000  1.0
  Te  Te8  1  0.66664962  0.33333633  -0.00000000  1.0

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