Dy3Er9InCo5

High-Entropy Materials HEA

MP-ID: mp-3296947 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Dy3Er9InCo5

MP-ID

mp-3296947

Elements

Sites

Density

9.4073

g/cm³

Volume

424.05

Å³

Cell a

8.2036

Cell b

8.2036

Cell c

8.2004

α Angle

106.82

β Angle

110.34

γ Angle

111.30

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
13.17	6.7225	1.1	(1,0,-1)
13.45	6.5852	5.2	(0,1,-1)
26.34	3.3834	2.5	(2,-2,0)
26.36	3.3815	2.5	(0,0,2)
26.52	3.3613	20.1	(2,0,-2)
27.08	3.2926	3.9	(0,2,-2)
27.08	3.2926	3.9	(2,0,0)
29.00	3.0789	10.2	(2,-2,-1)
29.01	3.0778	10.3	(1,-1,-2)
29.04	3.0744	29.0	(2,-1,-2)
30.03	2.9755	25.3	(2,-2,1)
30.04	2.9745	25.8	(1,-1,2)
30.20	2.9592	14.7	(1,-2,2)
30.37	2.9428	7.5	(2,1,-2)
30.50	2.9310	26.1	(1,2,-2)
30.50	2.9310	26.1	(2,1,-1)
32.79	2.7315	100.0	(3,-1,-1)
32.80	2.7305	99.5	(1,1,-3)
34.90	2.5709	2.3	(3,-2,-1)
34.92	2.5696	2.5	(1,0,-3)
35.00	2.5636	49.0	(3,-1,-2)
35.01	2.5630	47.7	(2,0,-3)
35.45	2.5322	44.2	(3,-2,0)
35.47	2.5310	44.0	(0,1,-3)

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Energy Properties

Formation Energy/atom

-0.21856

eV/atom

Energy/atom

-27.44212

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.4421

eV/atom

Volume/atom

23.56

Å³

c/a Ratio

0.9996

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2618

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000620

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1616

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6575

J/mol·K

Ω Parameter

15.3316

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.813%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2971

smaller = more stable mixing

VEC

10.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.068

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8379

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfpdr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296947

Reference Citation

The crystal structure and related material properties of Dy3Er9InCo5 were obtained from the Materials Project database (MP-ID: mp-3296947, 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_Dy3Er9InCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20362676
_cell_length_b   8.20362659
_cell_length_c   8.20036925
_cell_angle_alpha   106.82155426
_cell_angle_beta   110.33959619
_cell_angle_gamma   111.30160423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Er9InCo5
_chemical_formula_sum   'Dy3 Er9 In1 Co5'
_cell_volume   424.04581902
_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  0.80473154  0.78676355  0.59149509  1.0
  Dy  Dy1  1  0.19616299  0.78645255  0.98261353  1.0
  Dy  Dy2  1  0.80488707  0.21318282  0.01807089  1.0
  Er  Er3  1  0.47256835  0.28937023  0.18391022  1.0
  Er  Er4  1  0.10615343  0.28987875  0.81551582  1.0
  Er  Er5  1  0.89453998  0.71134187  0.18391022  1.0
  Er  Er6  1  0.52563707  0.70936239  0.81551582  1.0
  Er  Er7  1  0.30435702  0.61876536  0.31563276  1.0
  Er  Er8  1  0.30377036  0.98906510  0.68410644  1.0
  Er  Er9  1  0.69504233  0.38033707  0.68410644  1.0
  Er  Er10  1  0.69686641  0.01127374  0.31563276  1.0
  Er  Er11  1  0.19619492  0.21399142  0.41018535  1.0
  In  In12  1  0.00033403  0.49953155  0.49986557  1.0
  Co  Co13  1  0.49983468  0.61113548  0.11097016  1.0
  Co  Co14  1  0.49887547  0.38852198  0.88739746  1.0
  Co  Co15  1  0.37996659  0.00052781  0.38049540  1.0
  Co  Co16  1  0.61835482  0.99952303  0.61787784  1.0
  Co  Co17  1  0.00172392  0.00097331  0.00269722  1.0

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