Dy5Y3(HoBi)12

High-Entropy Materials HEA

MP-ID: mp-3292700 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy5Y3(HoBi)12

MP-ID

mp-3292700

Elements

Sites

Density

9.9100

g/cm³

Volume

932.67

Å³

Cell a

8.2203

Cell b

9.4364

Cell c

12.0237

α Angle

90.00

β Angle

89.98

γ Angle

90.00

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
7.35	12.0237	1.0	(0,0,1)
11.92	7.4233	9.6	(0,1,1)
13.05	6.7848	2.5	(1,0,-1)
14.74	6.0118	7.8	(0,0,2)
18.28	4.8534	1.2	(1,0,2)
20.58	4.3149	2.1	(1,1,-2)
21.62	4.1101	5.8	(2,0,0)
22.86	3.8896	9.1	(2,0,1)
22.87	3.8888	8.9	(2,0,-1)
22.96	3.8741	11.6	(1,2,1)
22.96	3.8736	7.8	(1,2,-1)
23.98	3.7116	13.5	(0,2,2)
24.71	3.6030	21.2	(1,0,3)
24.72	3.6020	24.3	(1,0,-3)
26.35	3.3825	1.1	(1,2,-2)
26.48	3.3660	2.9	(1,1,3)
26.49	3.3652	1.9	(1,1,-3)
27.94	3.1933	1.9	(2,1,2)
27.95	3.1924	1.6	(2,1,-2)
29.35	3.0431	19.7	(0,3,1)
29.72	3.0059	15.9	(0,0,4)
29.77	3.0012	72.9	(2,2,1)
29.77	3.0009	73.2	(2,2,-1)
31.16	2.8700	28.5	(2,0,3)

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Energy Properties

Formation Energy/atom

-0.81449

eV/atom

Energy/atom

-41.98490

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.9849

eV/atom

Volume/atom

29.15

Å³

c/a Ratio

1.4627

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.8289

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004110

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.375

Element Family

Lanthanide

Solute Fraction

0.625

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2476

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3724

J/mol·K

Ω Parameter

3.4779

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.566%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3844

smaller = more stable mixing

VEC

7.844

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.834

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8999

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiwi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292700

Reference Citation

The crystal structure and related material properties of Dy5Y3(HoBi)12 were obtained from the Materials Project database (MP-ID: mp-3292700, 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_Dy5Y3(HoBi)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22024984
_cell_length_b   9.43639920
_cell_length_c   12.02368228
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.97995125
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5Y3(HoBi)12
_chemical_formula_sum   'Dy5 Y3 Ho12 Bi12'
_cell_volume   932.67167577
_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  0.18501493  0.75000000  0.71724681  1.0
  Dy  Dy1  1  0.68465431  0.75000000  0.78276939  1.0
  Dy  Dy2  1  0.81493353  0.25000000  0.28281488  1.0
  Dy  Dy3  1  0.31492481  0.25000000  0.21730328  1.0
  Dy  Dy4  1  0.35401965  0.75000000  0.21376585  1.0
  Y  Y5  1  0.85374957  0.75000000  0.28682806  1.0
  Y  Y6  1  0.64642108  0.25000000  0.78680804  1.0
  Y  Y7  1  0.14620028  0.25000000  0.71314824  1.0
  Ho  Ho8  1  0.02360030  0.75000000  0.98981406  1.0
  Ho  Ho9  1  0.52355348  0.75000000  0.51013269  1.0
  Ho  Ho10  1  0.97640021  0.25000000  0.01031216  1.0
  Ho  Ho11  1  0.47647304  0.25000000  0.48969442  1.0
  Ho  Ho12  1  0.30847577  0.43575765  0.94158164  1.0
  Ho  Ho13  1  0.80842192  0.06434846  0.55812106  1.0
  Ho  Ho14  1  0.69138732  0.93568312  0.05844918  1.0
  Ho  Ho15  1  0.19164091  0.56446312  0.44152488  1.0
  Ho  Ho16  1  0.69138732  0.56431688  0.05844918  1.0
  Ho  Ho17  1  0.19164091  0.93553688  0.44152488  1.0
  Ho  Ho18  1  0.30847577  0.06424235  0.94158164  1.0
  Ho  Ho19  1  0.80842192  0.43565154  0.55812106  1.0
  Bi  Bi20  1  0.43500636  0.00321165  0.67364298  1.0
  Bi  Bi21  1  0.93491793  0.49686508  0.82631134  1.0
  Bi  Bi22  1  0.56466231  0.50345574  0.32601717  1.0
  Bi  Bi23  1  0.06549791  0.99653100  0.17370683  1.0
  Bi  Bi24  1  0.56466231  0.99654426  0.32601717  1.0
  Bi  Bi25  1  0.06549791  0.50346900  0.17370683  1.0
  Bi  Bi26  1  0.43500636  0.49678835  0.67364298  1.0
  Bi  Bi27  1  0.93491793  0.00313492  0.82631134  1.0
  Bi  Bi28  1  0.40508378  0.75000000  0.95702816  1.0
  Bi  Bi29  1  0.90513189  0.75000000  0.54368168  1.0
  Bi  Bi30  1  0.59475764  0.25000000  0.04362473  1.0
  Bi  Bi31  1  0.09506162  0.25000000  0.45631939  1.0

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