Dy3Er7(GaSb)4

High-Entropy Materials HEA

MP-ID: mp-3296779 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy3Er7(GaSb)4

MP-ID

mp-3296779

Elements

Sites

Density

8.6258

g/cm³

Volume

466.69

Å³

Cell a

8.6277

Cell b

8.4310

Cell c

7.8579

α Angle

89.93

β Angle

90.00

γ Angle

125.27

Space Group

Point Group

Crystal System

Triclinic

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
11.69	7.5718	13.8	(1,-1,0)
16.90	5.2474	4.7	(1,0,1)
16.91	5.2430	4.6	(1,0,-1)
17.11	5.1817	1.7	(0,1,1)
17.14	5.1742	1.3	(0,1,-1)
22.63	3.9289	2.8	(0,0,2)
22.68	3.9203	2.2	(1,1,0)
23.50	3.7859	27.2	(2,-2,0)
25.29	3.5222	1.5	(2,0,0)
25.38	3.5098	61.2	(1,1,1)
25.40	3.5061	60.7	(1,1,-1)
25.96	3.4326	19.7	(1,0,2)
25.98	3.4301	20.3	(1,0,-2)
26.10	3.4144	25.0	(0,1,2)
26.13	3.4101	24.4	(0,1,-2)
27.75	3.2151	1.4	(2,0,1)
27.77	3.2131	1.3	(2,0,-1)
28.29	3.1544	11.8	(0,2,1)
28.32	3.1510	12.3	(0,2,-1)
30.83	2.9007	46.0	(2,-1,2)
30.83	2.9003	46.9	(2,-1,-2)
31.18	2.8681	75.1	(1,-2,-2)
31.23	2.8645	74.7	(1,-2,2)
32.24	2.7769	81.2	(1,1,2)

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Energy Properties

Formation Energy/atom

-0.97723

eV/atom

Energy/atom

-27.75611

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.7561

eV/atom

Volume/atom

25.93

Å³

c/a Ratio

0.9108

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9741

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004230

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.389

Element Family

Lanthanide

Solute Fraction

0.611

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3344

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0942

J/mol·K

Ω Parameter

5.0942

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.106%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3550

smaller = more stable mixing

VEC

8.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.720

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9626

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoxf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296779

Reference Citation

The crystal structure and related material properties of Dy3Er7(GaSb)4 were obtained from the Materials Project database (MP-ID: mp-3296779, 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_Dy3Er7(GaSb)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62766204
_cell_length_b   8.43101092
_cell_length_c   7.85788514
_cell_angle_alpha   89.93193706
_cell_angle_beta   89.99952349
_cell_angle_gamma   125.26545717
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Er7(GaSb)4
_chemical_formula_sum   'Dy3 Er7 Ga4 Sb4'
_cell_volume   466.68800476
_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  0.04719767  0.31223967  0.32726087  1.0
  Dy  Dy1  1  0.95363302  0.68978950  0.67244556  1.0
  Dy  Dy2  1  0.45247293  0.18856539  0.82765117  1.0
  Er  Er3  1  0.78623626  0.53435014  0.16430729  1.0
  Er  Er4  1  0.54652510  0.80815255  0.17110263  1.0
  Er  Er5  1  0.21249453  0.46487711  0.83533387  1.0
  Er  Er6  1  0.71361163  0.96597492  0.66411870  1.0
  Er  Er7  1  0.28775871  0.03533224  0.33543537  1.0
  Er  Er8  1  0.99945955  0.99952566  0.00077747  1.0
  Er  Er9  1  0.50048481  0.50081763  0.50007622  1.0
  Ga  Ga10  1  0.37366639  0.37582617  0.12501722  1.0
  Ga  Ga11  1  0.62600922  0.62450275  0.87500748  1.0
  Ga  Ga12  1  0.12619592  0.12461897  0.62479503  1.0
  Ga  Ga13  1  0.87355071  0.87597698  0.37421664  1.0
  Sb  Sb14  1  0.80021610  0.21195715  0.98816191  1.0
  Sb  Sb15  1  0.19818855  0.78451357  0.01422527  1.0
  Sb  Sb16  1  0.69839531  0.28717840  0.48775930  1.0
  Sb  Sb17  1  0.30390358  0.71580019  0.51230698  1.0

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