Dy10GaSi3Sb4

High-Entropy Materials HEA

MP-ID: mp-3296060 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Dy10GaSi3Sb4

MP-ID

mp-3296060

Elements

Sites

Density

8.0375

g/cm³

Volume

468.16

Å³

Cell a

8.5120

Cell b

8.5120

Cell c

7.8786

α Angle

89.79

β Angle

89.79

γ Angle

124.90

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
11.73	7.5467	1.8	(1,-1,0,0)
12.68	6.9810	1.3	(1,0,-1,0)
16.91	5.2432	8.3	(1,0,-1,1)
17.03	5.2068	15.9	(1,0,-1,-1)
22.57	3.9392	4.1	(0,0,0,2)
22.59	3.9369	3.5	(1,1,-2,0)
23.58	3.7734	40.0	(2,-2,0,0)
23.88	3.7267	5.3	(2,-1,-1,-1)
25.21	3.5329	70.6	(1,1,-2,1)
25.37	3.5106	68.9	(1,1,-2,-1)
25.51	3.4921	2.1	(1,-1,0,2)
25.52	3.4905	2.1	(2,0,-2,0)
25.89	3.4411	29.2	(0,1,-1,2)
25.89	3.4411	29.2	(1,0,-1,2)
26.05	3.4204	57.1	(1,0,-1,-2)
27.88	3.1997	2.9	(2,0,-2,1)
28.03	3.1830	2.7	(2,0,-2,-1)
30.92	2.8919	79.9	(2,-1,-1,2)
31.06	2.8797	77.5	(2,-1,-1,-2)
32.01	2.7957	73.8	(1,1,-2,2)
32.28	2.7737	60.6	(1,1,-2,-2)
32.87	2.7249	66.5	(2,-2,0,-2)
32.87	2.7249	66.5	(2,-2,0,2)
32.88	2.7242	67.4	(1,-3,2,0)

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Energy Properties

Formation Energy/atom

-1.04461

eV/atom

Energy/atom

-26.62279

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.6228

eV/atom

Volume/atom

26.01

Å³

c/a Ratio

0.9256

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0600

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000130

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.167

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1200

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3116

J/mol·K

Ω Parameter

6.6115

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.368%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3745

smaller = more stable mixing

VEC

7.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.017

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8079

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnvo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296060

Reference Citation

The crystal structure and related material properties of Dy10GaSi3Sb4 were obtained from the Materials Project database (MP-ID: mp-3296060, 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_Dy10GaSi3Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51196150
_cell_length_b   8.51196185
_cell_length_c   7.87859033
_cell_angle_alpha   89.78993572
_cell_angle_beta   89.78994072
_cell_angle_gamma   124.89889552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10GaSi3Sb4
_chemical_formula_sum   'Dy10 Ga1 Si3 Sb4'
_cell_volume   468.16001300
_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  0.04042942  0.29308137  0.33437355  1.0
  Dy  Dy1  1  0.95935198  0.70940174  0.66533559  1.0
  Dy  Dy2  1  0.45975338  0.20561145  0.83336725  1.0
  Dy  Dy3  1  0.79293400  0.53971985  0.16563255  1.0
  Dy  Dy4  1  0.53971985  0.79293400  0.16563255  1.0
  Dy  Dy5  1  0.20561145  0.45975338  0.83336725  1.0
  Dy  Dy6  1  0.70940174  0.95935198  0.66533559  1.0
  Dy  Dy7  1  0.29308137  0.04042942  0.33437355  1.0
  Dy  Dy8  1  0.99870211  0.99870211  0.99916168  1.0
  Dy  Dy9  1  0.50128029  0.50128029  0.50156373  1.0
  Ga  Ga10  1  0.36939775  0.36939775  0.12928538  1.0
  Si  Si11  1  0.62838794  0.62838794  0.87147082  1.0
  Si  Si12  1  0.13365320  0.13365320  0.63100014  1.0
  Si  Si13  1  0.86835133  0.86835133  0.36727301  1.0
  Sb  Sb14  1  0.79278865  0.20301448  0.00032272  1.0
  Sb  Sb15  1  0.20301448  0.79278865  0.00032272  1.0
  Sb  Sb16  1  0.70753915  0.29660293  0.50108946  1.0
  Sb  Sb17  1  0.29660293  0.70753915  0.50108946  1.0

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