Dy10In3Bi3Cl2

High-Entropy Materials HEA

MP-ID: mp-3294227 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy10In3Bi3Cl2

MP-ID

mp-3294227

Elements

Sites

Density

9.3093

g/cm³

Volume

475.78

Å³

Cell a

9.1871

Cell b

9.1450

Cell c

6.5650

α Angle

90.00

β Angle

90.00

γ Angle

120.39

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
11.17	7.9248	4.1	(1,0,0)
11.22	7.8884	14.9	(0,1,0)
13.49	6.5650	1.2	(0,0,1)
17.52	5.0630	1.0	(1,-1,1)
17.54	5.0556	2.9	(1,0,1)
17.58	5.0461	1.0	(0,1,1)
19.32	4.5935	2.4	(2,-1,0)
22.44	3.9624	1.1	(2,0,0)
22.54	3.9442	4.0	(0,2,0)
23.77	3.7429	1.0	(1,1,1)
26.27	3.3924	4.5	(2,0,1)
27.17	3.2825	49.5	(0,0,2)
29.44	3.0342	14.9	(1,-1,2)
29.45	3.0326	6.7	(1,0,2)
29.47	3.0306	2.1	(0,1,2)
29.69	3.0086	14.1	(3,-2,0)
29.74	3.0039	9.7	(3,-1,0)
29.80	2.9986	12.2	(2,-3,0)
29.90	2.9881	5.2	(1,-3,0)
29.92	2.9863	6.2	(2,1,0)
29.98	2.9805	3.9	(1,2,0)
32.74	2.7351	26.5	(3,-2,1)
32.79	2.7315	39.3	(3,-1,1)
32.84	2.7276	26.8	(2,-3,1)

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Energy Properties

Formation Energy/atom

-1.02101

eV/atom

Energy/atom

-32.98576

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.9858

eV/atom

Volume/atom

26.43

Å³

c/a Ratio

0.7146

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.7683

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003720

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

1.1679

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7102

J/mol·K

Ω Parameter

7.1619

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.073%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6177

smaller = more stable mixing

VEC

7.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.511

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8425

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfldb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294227

Reference Citation

The crystal structure and related material properties of Dy10In3Bi3Cl2 were obtained from the Materials Project database (MP-ID: mp-3294227, 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_Dy10In3Bi3Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18711982
_cell_length_b   9.14497451
_cell_length_c   6.56498233
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.39059962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10In3Bi3Cl2
_chemical_formula_sum   'Dy10 In3 Bi3 Cl2'
_cell_volume   475.77676022
_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  0.25853085  0.99100864  0.75000000  1.0
  Dy  Dy1  1  0.73680883  0.00046957  0.25000000  1.0
  Dy  Dy2  1  0.99132544  0.25863903  0.75000000  1.0
  Dy  Dy3  1  0.00868189  0.74636541  0.25000000  1.0
  Dy  Dy4  1  0.74197297  0.74137839  0.75000000  1.0
  Dy  Dy5  1  0.26273411  0.25472578  0.25000000  1.0
  Dy  Dy6  1  0.33233885  0.67463530  0.50067817  1.0
  Dy  Dy7  1  0.66755584  0.32719676  0.50044975  1.0
  Dy  Dy8  1  0.66755584  0.32719676  0.99955025  1.0
  Dy  Dy9  1  0.33233885  0.67463530  0.99932183  1.0
  In  In10  1  0.60898638  0.99782959  0.75000000  1.0
  In  In11  1  0.39357416  0.00224874  0.25000000  1.0
  In  In12  1  0.99616375  0.60941842  0.75000000  1.0
  Bi  Bi13  1  0.00314029  0.38985263  0.25000000  1.0
  Bi  Bi14  1  0.38415725  0.38548965  0.75000000  1.0
  Bi  Bi15  1  0.61419038  0.61206164  0.25000000  1.0
  Cl  Cl16  1  0.99997165  0.00342370  0.49915939  1.0
  Cl  Cl17  1  0.99997165  0.00342370  0.00084061  1.0

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