Dy7Ho3(CoSb2)2

High-Entropy Materials HEA

MP-ID: mp-3296258 · Space group: P2_1 (#4)

Materials Project API

Basic Information

Formula

Dy7Ho3(CoSb2)2

MP-ID

mp-3296258

Elements

Sites

Density

8.8851

g/cm³

Volume

836.22

Å³

Cell a

7.8843

Cell b

8.7289

Cell c

12.1506

α Angle

90.00

β Angle

90.00

γ Angle

90.03

Space Group

P2_1

Point Group

Crystal System

Monoclinic

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
14.58	6.0753	2.6	(0,0,2)
22.55	3.9422	2.6	(2,0,0)
24.43	3.6436	1.1	(1,-2,1)
24.44	3.6420	1.1	(1,2,1)
25.12	3.5446	4.2	(0,2,2)
25.85	3.4460	3.4	(2,-1,1)
25.87	3.4446	3.5	(2,1,1)
27.59	3.2335	24.3	(1,-2,2)
27.60	3.2323	24.4	(1,2,2)
28.87	3.0930	1.6	(2,-1,2)
28.88	3.0920	1.6	(2,1,2)
29.40	3.0377	5.5	(0,0,4)
30.55	2.9263	3.4	(2,-2,0)
30.57	2.9246	3.2	(2,2,0)
31.44	2.8450	77.0	(2,-2,1)
31.46	2.8434	76.8	(2,2,1)
31.56	2.8345	100.0	(1,0,4)
31.67	2.8250	37.5	(2,0,3)
32.21	2.7787	68.2	(1,-2,3)
32.22	2.7780	68.1	(1,2,3)
32.80	2.7302	7.1	(1,-3,0)
32.82	2.7292	7.0	(1,3,0)
33.23	2.6961	1.9	(1,-1,4)
33.23	2.6958	1.9	(1,1,4)

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Energy Properties

Formation Energy/atom

-0.78320

eV/atom

Energy/atom

-29.02135

eV/atom

Energy above Hull

0.0004

eV/atom

Uncorrected Energy

-29.0214

eV/atom

Volume/atom

26.13

Å³

c/a Ratio

1.5411

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0221

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.438

Element Family

Lanthanide

Solute Fraction

0.563

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2820

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6589

J/mol·K

Ω Parameter

8.9805

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.576%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3762

smaller = more stable mixing

VEC

8.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.789

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9248

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfode

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296258

Reference Citation

The crystal structure and related material properties of Dy7Ho3(CoSb2)2 were obtained from the Materials Project database (MP-ID: mp-3296258, 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_Dy7Ho3(CoSb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88431483
_cell_length_b   8.72889218
_cell_length_c   12.15058361
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.03454927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy7Ho3(CoSb2)2
_chemical_formula_sum   'Dy14 Ho6 Co4 Sb8'
_cell_volume   836.21922221
_cell_formula_units_Z   2
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  0.15245275  0.74987493  0.20045302  1.0
  Dy  Dy1  1  0.34754725  0.75012507  0.70045302  1.0
  Dy  Dy2  1  0.84746860  0.25002377  0.79966233  1.0
  Dy  Dy3  1  0.65253140  0.24997623  0.29966233  1.0
  Dy  Dy4  1  0.45814977  0.74992888  0.99783949  1.0
  Dy  Dy5  1  0.04185023  0.75007112  0.49783949  1.0
  Dy  Dy6  1  0.53978965  0.25014045  0.00220996  1.0
  Dy  Dy7  1  0.96021035  0.24985955  0.50220996  1.0
  Dy  Dy8  1  0.62638419  0.75052155  0.30743274  1.0
  Dy  Dy9  1  0.87361581  0.74947845  0.80743274  1.0
  Dy  Dy10  1  0.37307750  0.24960001  0.69265432  1.0
  Dy  Dy11  1  0.12692250  0.25039999  0.19265432  1.0
  Dy  Dy12  1  0.82239102  0.96961065  0.06436032  1.0
  Dy  Dy13  1  0.67760898  0.53038935  0.56436032  1.0
  Ho  Ho14  1  0.82324254  0.53061533  0.06453592  1.0
  Ho  Ho15  1  0.67675746  0.96938467  0.56453592  1.0
  Ho  Ho16  1  0.17663983  0.03058531  0.93531560  1.0
  Ho  Ho17  1  0.32336017  0.46941469  0.43531560  1.0
  Ho  Ho18  1  0.17649876  0.46904251  0.93529808  1.0
  Ho  Ho19  1  0.32350124  0.03095749  0.43529808  1.0
  Co  Co20  1  0.44523937  0.75035902  0.49192349  1.0
  Co  Co21  1  0.05476063  0.74964098  0.99192349  1.0
  Co  Co22  1  0.55340779  0.24981965  0.50784771  1.0
  Co  Co23  1  0.94659221  0.25018035  0.00784771  1.0
  Sb  Sb24  1  0.93144876  0.50650938  0.32706313  1.0
  Sb  Sb25  1  0.56855124  0.99349062  0.82706313  1.0
  Sb  Sb26  1  0.06820368  0.00625994  0.67331989  1.0
  Sb  Sb27  1  0.43179632  0.49374006  0.17331989  1.0
  Sb  Sb28  1  0.06913823  0.49328514  0.67320368  1.0
  Sb  Sb29  1  0.43086177  0.00671486  0.17320368  1.0
  Sb  Sb30  1  0.93185218  0.99369978  0.32687831  1.0
  Sb  Sb31  1  0.56814782  0.50630022  0.82687831  1.0

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