Dy5(InBi)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296666 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

Dy5(InBi)2

MP-ID

mp-3296666

Elements

Sites

Density

9.2066

g/cm³

Volume

526.70

Å³

Cell a

8.8530

Cell b

8.8530

Cell c

8.1941

α Angle

90.00

β Angle

90.00

γ Angle

124.90

Space Group

Cmce

Point Group

mmm

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
16.31	5.4342	4.2	(1,0,-1,1)
21.69	4.0970	10.0	(0,0,0,2)
21.70	4.0946	8.5	(1,1,-2,0)
22.90	3.8829	11.1	(2,-1,-1,1)
24.30	3.6627	24.7	(1,1,-2,1)
24.51	3.6320	7.7	(1,-1,0,2)
24.52	3.6303	7.7	(2,0,-2,0)
24.96	3.5682	12.5	(1,0,-1,2)
26.86	3.3192	18.8	(2,0,-2,1)
29.77	3.0014	100.0	(2,-1,-1,2)
30.87	2.8962	81.5	(1,1,-2,2)
31.57	2.8341	57.9	(2,-2,0,2)
31.58	2.8333	30.3	(3,-1,-2,0)
31.58	2.8333	30.3	(1,-3,2,0)
32.44	2.7603	75.9	(3,-2,-1,1)
32.97	2.7171	10.4	(2,0,-2,2)
33.46	2.6777	96.4	(3,-1,-2,1)
34.27	2.6164	20.6	(3,-3,0,0)
35.10	2.5565	77.8	(1,0,-1,3)
35.12	2.5553	79.4	(2,1,-3,1)
37.73	2.3841	32.1	(3,-2,-1,2)
38.64	2.3303	5.0	(3,-1,-2,2)
38.78	2.3220	12.2	(2,-1,-1,3)
38.80	2.3211	12.6	(3,0,-3,1)

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Energy Properties

Formation Energy/atom

-0.80833

eV/atom

Energy/atom

-36.59397

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.5940

eV/atom

Volume/atom

29.26

Å³

c/a Ratio

0.9256

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9835

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003770

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

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9950

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2727

J/mol·K

Ω Parameter

3.5401

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.633%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3472

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.687

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9057

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.543

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.556

Related Tasks

Related computation task IDs (1)

aaahfosw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296666

Reference Citation

The crystal structure and related material properties of Dy5(InBi)2 were obtained from the Materials Project database (MP-ID: mp-3296666, 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_Dy5(InBi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85296352
_cell_length_b   8.85296300
_cell_length_c   8.19405909
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.90173081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5(InBi)2
_chemical_formula_sum   'Dy10 In4 Bi4'
_cell_volume   526.69785023
_cell_formula_units_Z   2
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  0.03721840  0.30094188  0.33329574  1.0
  Dy  Dy1  1  0.96278160  0.69905812  0.66670426  1.0
  Dy  Dy2  1  0.46278160  0.19905812  0.83329574  1.0
  Dy  Dy3  1  0.80094188  0.53721840  0.16670426  1.0
  Dy  Dy4  1  0.53721840  0.80094188  0.16670426  1.0
  Dy  Dy5  1  0.19905812  0.46278160  0.83329574  1.0
  Dy  Dy6  1  0.69905812  0.96278160  0.66670426  1.0
  Dy  Dy7  1  0.30094188  0.03721840  0.33329574  1.0
  Dy  Dy8  1  0.00000000  0.00000000  0.00000000  1.0
  Dy  Dy9  1  0.50000000  0.50000000  0.50000000  1.0
  In  In10  1  0.37084162  0.37084162  0.12878608  1.0
  In  In11  1  0.62915838  0.62915838  0.87121392  1.0
  In  In12  1  0.12915838  0.12915838  0.62878608  1.0
  In  In13  1  0.87084162  0.87084162  0.37121392  1.0
  Bi  Bi14  1  0.79463812  0.20536188  0.00000000  1.0
  Bi  Bi15  1  0.20536188  0.79463812  0.00000000  1.0
  Bi  Bi16  1  0.70536188  0.29463812  0.50000000  1.0
  Bi  Bi17  1  0.29463812  0.70536188  0.50000000  1.0

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