Dy5Er5(InSb2)2

High-Entropy Materials HEA

MP-ID: mp-3296616 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy5Er5(InSb2)2

MP-ID

mp-3296616

Elements

Sites

Density

8.9495

g/cm³

Volume

438.90

Å³

Cell a

8.8829

Cell b

8.8921

Cell c

6.4134

α Angle

90.00

β Angle

90.00

γ Angle

119.96

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
11.49	7.7042	4.7	(0,1,-1,0)
11.50	7.6963	6.2	(1,0,-1,0)
11.50	7.6951	4.2	(1,-1,0,0)
23.09	3.8521	8.5	(0,2,-2,0)
23.11	3.8481	6.7	(2,0,-2,0)
23.12	3.8475	8.0	(2,-2,0,0)
24.36	3.6539	1.0	(1,-2,1,1)
27.82	3.2067	56.6	(0,0,0,2)
30.19	2.9605	26.0	(0,1,-1,2)
30.19	2.9600	26.8	(1,0,-1,2)
30.19	2.9600	26.8	(1,-1,0,2)
30.71	2.9116	22.7	(1,2,-3,0)
30.71	2.9113	18.2	(1,-3,2,0)
30.72	2.9103	23.0	(2,1,-3,0)
30.73	2.9098	18.2	(2,-3,1,0)
30.75	2.9079	23.0	(3,-1,-2,0)
30.75	2.9077	23.0	(3,-2,-1,0)
33.81	2.6512	61.7	(1,2,-3,1)
33.81	2.6509	62.9	(1,-3,2,1)
33.82	2.6502	59.6	(2,1,-3,1)
33.83	2.6498	63.8	(2,-3,1,1)
33.85	2.6484	57.9	(3,-1,-2,1)
33.85	2.6482	61.5	(3,-2,-1,1)
34.48	2.6009	100.0	(1,1,-2,2)

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Energy Properties

Formation Energy/atom

-0.89592

eV/atom

Energy/atom

-30.74083

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.7408

eV/atom

Volume/atom

27.43

Å³

c/a Ratio

0.7220

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0545

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000120

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.313

Element Family

Lanthanide

Solute Fraction

0.688

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3335

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0865

J/mol·K

Ω Parameter

8.2038

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.615%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3620

smaller = more stable mixing

VEC

8.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.848

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9619

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoqy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296616

Reference Citation

The crystal structure and related material properties of Dy5Er5(InSb2)2 were obtained from the Materials Project database (MP-ID: mp-3296616, 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…

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Raw CIF Data

# generated using pymatgen
data_Dy5Er5(InSb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88292599
_cell_length_b   8.89205398
_cell_length_c   6.41337152
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95586530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5Er5(InSb2)2
_chemical_formula_sum   'Dy5 Er5 In2 Sb4'
_cell_volume   438.90258343
_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  0.00316328  0.75905850  0.75000000  1.0
  Dy  Dy1  1  0.00338245  0.24419637  0.25000000  1.0
  Dy  Dy2  1  0.75706135  0.75972312  0.25000000  1.0
  Dy  Dy3  1  0.75779376  0.99746383  0.75000000  1.0
  Dy  Dy4  1  0.24266306  0.00561180  0.25000000  1.0
  Er  Er5  1  0.24337607  0.23765751  0.75000000  1.0
  Er  Er6  1  0.33328645  0.66681664  0.50006292  1.0
  Er  Er7  1  0.66217560  0.33096500  0.99985213  1.0
  Er  Er8  1  0.66217560  0.33096500  0.50014787  1.0
  Er  Er9  1  0.33328645  0.66681664  0.99993708  1.0
  In  In10  1  0.39472148  0.99825516  0.75000000  1.0
  In  In11  1  0.39513078  0.39760477  0.25000000  1.0
  Sb  Sb12  1  0.99864735  0.60935547  0.25000000  1.0
  Sb  Sb13  1  0.99954324  0.38876051  0.75000000  1.0
  Sb  Sb14  1  0.60664354  0.60639908  0.75000000  1.0
  Sb  Sb15  1  0.60694853  0.00035057  0.25000000  1.0

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