Dy2CoSi2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-31093 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Dy2CoSi2

MP-ID

mp-31093

Elements

Sites

Density

7.8123

g/cm³

Volume

187.09

Å³

Cell a

4.1489

Cell b

5.5667

Cell c

8.9768

α Angle

83.46

β Angle

76.64

γ Angle

68.12

Space Group

C2/m

Point Group

2/m

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
17.17	5.1632	1.7	(0,1,0)
20.35	4.3648	1.8	(0,0,2)
23.61	3.7686	100.0	(1,1,1)
23.72	3.7504	3.2	(1,1,0)
26.33	3.3853	38.5	(0,1,2)
27.16	3.2838	69.0	(0,1,-2)
27.63	3.2280	17.2	(1,1,2)
27.93	3.1940	26.0	(1,0,2)
30.73	2.9099	12.5	(0,0,3)
34.11	2.6284	44.2	(1,2,1)
34.11	2.6284	44.2	(1,-1,0)
34.36	2.6100	78.3	(1,2,0)
34.48	2.6014	51.6	(1,1,3)
34.48	2.6014	51.6	(1,0,-2)
34.75	2.5816	41.3	(0,2,0)
34.89	2.5717	51.2	(1,0,3)
34.89	2.5717	51.2	(1,1,-2)
34.92	2.5692	36.7	(0,1,3)
35.89	2.5022	15.3	(0,1,-3)
35.97	2.4967	20.4	(0,2,1)
37.64	2.3898	59.5	(1,2,-1)
40.02	2.2527	23.1	(0,2,2)
41.17	2.1926	24.9	(0,2,-2)
41.37	2.1824	36.2	(0,0,4)

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Energy Properties

Formation Energy/atom

-0.72483

eV/atom

Energy/atom

-6.16900

eV/atom

Energy above Hull

0.0081

eV/atom

Uncorrected Energy

-19.7245

eV/atom

Volume/atom

18.71

Å³

c/a Ratio

2.1637

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7305

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.003900

μB/Å³

Elastic Properties

K_VRH

101.890

GPa

G_VRH

61.658

GPa

Young's Modulus E

153.925

GPa

Poisson Ratio ν

0.248

Pugh Ratio K/G

1.653

Vickers Hardness Est.

9.386

GPa

Ductility

Ductile

Anisotropy

0.232

Lame λ

60.785

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

1.3316

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.228%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3299

smaller = more stable mixing

VEC

7.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.200

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.462

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2320

Homogeneous Poisson ν

0.2480

Debye Temperature

546.7

Sound Velocity

3,118.3

m/s

Homogeneity

0.2480

Related Tasks

Related computation task IDs (5)

aaadmxvt aaadrlhv aaaelqsn aaaerglv aaafinbm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31093

Reference Citation

The crystal structure and related material properties of Dy2CoSi2 were obtained from the Materials Project database (MP-ID: mp-31093, 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_Dy2CoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14886842
_cell_length_b   5.56664973
_cell_length_c   8.97680861
_cell_angle_alpha   83.45519886
_cell_angle_beta   76.63883857
_cell_angle_gamma   68.12060494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2CoSi2
_chemical_formula_sum   'Dy4 Co2 Si4'
_cell_volume   187.09212511
_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  0.18824291  0.72716688  0.89634730  1.0
  Dy  Dy1  1  0.81175709  0.27283312  0.10365270  1.0
  Dy  Dy2  1  0.00131856  0.32566404  0.67169885  1.0
  Dy  Dy3  1  -0.00131856  0.67433596  0.32830115  1.0
  Co  Co4  1  0.72753527  0.91845752  0.62647194  1.0
  Co  Co5  1  0.27246473  0.08154248  0.37352806  1.0
  Si  Si6  1  0.49769684  0.13007682  0.87453049  1.0
  Si  Si7  1  0.50230316  0.86992318  0.12547051  1.0
  Si  Si8  1  0.34731526  0.74045624  0.56491324  1.0
  Si  Si9  1  0.65268474  0.25954376  0.43508676  1.0

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