Dy4In2Ga3Si

High-Entropy Materials HEA

MP-ID: mp-3252188 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy4In2Ga3Si

MP-ID

mp-3252188

Elements

Sites

Density

8.3175

g/cm³

Volume

222.98

Å³

Cell a

7.1667

Cell b

7.1667

Cell c

4.3420

α Angle

90.00

β Angle

90.00

γ Angle

90.91

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
12.35	7.1658	2.0	(1,0,0)
17.64	5.0274	1.2	(1,1,0)
20.45	4.3420	4.8	(0,0,1)
23.96	3.7135	1.2	(1,0,1)
24.85	3.5829	4.6	(2,0,0)
26.95	3.3081	14.8	(1,-1,1)
27.14	3.2861	10.2	(1,1,1)
27.66	3.2251	16.7	(2,-1,0)
28.02	3.1846	16.5	(2,1,0)
32.40	2.7635	100.0	(2,0,1)
34.65	2.5890	89.8	(2,-1,1)
34.94	2.5679	87.7	(2,1,1)
35.14	2.5538	8.4	(2,-2,0)
35.72	2.5137	12.6	(2,2,0)
39.58	2.2769	34.9	(3,-1,0)
39.98	2.2554	28.2	(3,1,0)
41.60	2.1710	41.9	(0,0,2)
45.29	2.0021	3.4	(3,-2,0)
46.00	1.9731	3.5	(3,2,0)
49.06	1.8567	1.6	(2,0,2)
50.18	1.8181	1.1	(3,-2,1)
50.69	1.8010	6.5	(2,-1,2)
50.91	1.7938	6.6	(2,1,2)
50.98	1.7915	1.9	(4,0,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.76101

eV/atom

Energy/atom

-22.37966

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.3797

eV/atom

Volume/atom

22.30

Å³

c/a Ratio

0.6059

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

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

0.100

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2799

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6407

J/mol·K

Ω Parameter

2.6100

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.676%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2932

smaller = more stable mixing

VEC

5.900

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.148

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9232

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdaye

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252188

Reference Citation

The crystal structure and related material properties of Dy4In2Ga3Si were obtained from the Materials Project database (MP-ID: mp-3252188, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Dy4In2Ga3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16669761
_cell_length_b   7.16669761
_cell_length_c   4.34195418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.90625879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4In2Ga3Si
_chemical_formula_sum   'Dy4 In2 Ga3 Si1'
_cell_volume   222.98162087
_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  0.17442132  0.32750792  0.50000000  1.0
  Dy  Dy1  1  0.82750792  0.67442132  0.50000000  1.0
  Dy  Dy2  1  0.32439391  0.82439391  0.50000000  1.0
  Dy  Dy3  1  0.67377774  0.17377774  0.50000000  1.0
  In  In4  1  0.99986804  0.00109907  0.00000000  1.0
  In  In5  1  0.50109907  0.49986804  0.00000000  1.0
  Ga  Ga6  1  0.87871728  0.37871728  0.00000000  1.0
  Ga  Ga7  1  0.37712720  0.12261099  0.00000000  1.0
  Ga  Ga8  1  0.62261099  0.87712720  0.00000000  1.0
  Si  Si9  1  0.12047652  0.62047652  0.00000000  1.0

Get direct link