Dy9Y(GaSb)4

High-Entropy Materials HEA

MP-ID: mp-3296024 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy9Y(GaSb)4

MP-ID

mp-3296024

Elements

Sites

Density

8.0492

g/cm³

Volume

478.06

Å³

Cell a

8.5955

Cell b

8.5924

Cell c

7.9184

α Angle

90.00

β Angle

89.99

γ Angle

125.17

Space Group

Point Group

Crystal System

Triclinic

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
11.17	7.9184	3.8	(0,0,1)
11.60	7.6288	18.2	(1,-1,0)
12.60	7.0264	2.9	(1,0,0)
12.60	7.0238	2.9	(0,1,0)
16.13	5.4942	1.7	(1,-1,1)
16.13	5.4936	1.7	(1,-1,-1)
16.87	5.2563	7.6	(1,0,1)
16.87	5.2550	5.6	(1,0,-1)
16.87	5.2549	7.4	(0,1,1)
22.46	3.9592	6.7	(0,0,2)
22.47	3.9569	5.1	(1,1,0)
23.32	3.8144	22.3	(2,-2,0)
23.63	3.7645	1.6	(2,-1,-1)
25.16	3.5399	64.8	(1,1,1)
25.16	3.5393	57.9	(1,1,-1)
25.35	3.5140	1.8	(1,-1,-2)
25.35	3.5132	1.8	(2,0,0)
25.83	3.4497	27.5	(1,0,2)
25.83	3.4492	18.4	(0,1,2)
25.83	3.4490	20.3	(1,0,-2)
25.83	3.4488	20.8	(0,1,-2)
27.78	3.2116	10.0	(2,0,1)
27.78	3.2110	7.1	(2,0,-1)
27.79	3.2105	4.0	(0,2,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.99397

eV/atom

Energy/atom

-26.36876

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.3688

eV/atom

Volume/atom

26.56

Å³

c/a Ratio

0.9212

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9963

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004180

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 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

1.1756

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7742

J/mol·K

Ω Parameter

2.0192

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.261%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3618

smaller = more stable mixing

VEC

6.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.848

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8480

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnue

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296024

Reference Citation

The crystal structure and related material properties of Dy9Y(GaSb)4 were obtained from the Materials Project database (MP-ID: mp-3296024, 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_Dy9Y(GaSb)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59552848
_cell_length_b   8.59236034
_cell_length_c   7.91843758
_cell_angle_alpha   89.99977097
_cell_angle_beta   89.98863122
_cell_angle_gamma   125.17011070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy9Y(GaSb)4
_chemical_formula_sum   'Dy9 Y1 Ga4 Sb4'
_cell_volume   478.06104169
_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  0.95935083  0.70103338  0.66800795  1.0
  Dy  Dy1  1  0.45916214  0.20096756  0.83209793  1.0
  Dy  Dy2  1  0.79858591  0.54062753  0.16785696  1.0
  Dy  Dy3  1  0.54086481  0.79897704  0.16794358  1.0
  Dy  Dy4  1  0.20125494  0.45928541  0.83187580  1.0
  Dy  Dy5  1  0.70119320  0.95926753  0.66813526  1.0
  Dy  Dy6  1  0.29881325  0.04071027  0.33185452  1.0
  Dy  Dy7  1  0.00003682  0.99983717  0.99989831  1.0
  Dy  Dy8  1  0.50015295  0.50014229  0.50007502  1.0
  Y  Y9  1  0.04026118  0.29958925  0.33198535  1.0
  Ga  Ga10  1  0.37587480  0.37547085  0.12345662  1.0
  Ga  Ga11  1  0.62452069  0.62454081  0.87621564  1.0
  Ga  Ga12  1  0.12459190  0.12410611  0.62407811  1.0
  Ga  Ga13  1  0.87538222  0.87496642  0.37641078  1.0
  Sb  Sb14  1  0.79437591  0.20557005  0.99942830  1.0
  Sb  Sb15  1  0.20552263  0.79422749  0.00009624  1.0
  Sb  Sb16  1  0.70483258  0.29428713  0.50020009  1.0
  Sb  Sb17  1  0.29522322  0.70639471  0.50038354  1.0

Get direct link