Dy4Ho16(Bi3Sb)3

High-Entropy Materials HEA

MP-ID: mp-3293292 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy4Ho16(Bi3Sb)3

MP-ID

mp-3293292

Elements

Sites

Density

10.0549

g/cm³

Volume

914.09

Å³

Cell a

8.1582

Cell b

9.3621

Cell c

11.9680

α Angle

90.00

β Angle

90.03

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
13.13	6.7426	5.4	(1,0,-1)
13.14	6.7394	4.5	(1,0,1)
21.79	4.0791	3.5	(2,0,0)
23.03	3.8616	2.8	(2,0,-1)
23.04	3.8604	3.6	(2,0,1)
23.13	3.8452	4.3	(1,2,-1)
23.13	3.8446	4.5	(1,2,1)
24.14	3.6870	1.9	(0,2,2)
24.84	3.5845	13.6	(1,0,-3)
24.85	3.5831	16.8	(1,0,3)
26.53	3.3602	4.5	(1,2,-2)
26.53	3.3594	1.9	(1,2,2)
29.58	3.0197	10.3	(0,3,1)
29.86	2.9920	15.9	(0,0,4)
30.00	2.9788	100.0	(2,2,-1)
30.00	2.9783	92.4	(2,2,1)
31.36	2.8528	26.6	(2,0,-3)
31.37	2.8514	28.1	(2,0,3)
31.43	2.8460	92.1	(1,2,-3)
31.44	2.8452	85.1	(1,2,3)
31.59	2.8321	32.9	(1,3,-1)
31.59	2.8318	32.7	(1,3,1)
31.85	2.8095	68.1	(1,0,-4)
31.86	2.8086	71.0	(1,0,4)

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Energy Properties

Formation Energy/atom

-0.87543

eV/atom

Energy/atom

-40.17756

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.1776

eV/atom

Volume/atom

28.57

Å³

c/a Ratio

1.4670

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.4926

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003820

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1852

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8537

J/mol·K

Ω Parameter

122.8474

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.900%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3872

smaller = more stable mixing

VEC

8.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.105

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8549

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjtc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293292

Reference Citation

The crystal structure and related material properties of Dy4Ho16(Bi3Sb)3 were obtained from the Materials Project database (MP-ID: mp-3293292, 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_Dy4Ho16(Bi3Sb)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15822167
_cell_length_b   9.36208001
_cell_length_c   11.96794752
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.02963355
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4Ho16(Bi3Sb)3
_chemical_formula_sum   'Dy4 Ho16 Bi9 Sb3'
_cell_volume   914.08686333
_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  0.32151192  0.25000000  0.21478450  1.0
  Dy  Dy1  1  0.81517545  0.25000000  0.28055965  1.0
  Dy  Dy2  1  0.67922733  0.75000000  0.78422211  1.0
  Dy  Dy3  1  0.17990806  0.75000000  0.71595897  1.0
  Ho  Ho4  1  0.35342831  0.75000000  0.21284583  1.0
  Ho  Ho5  1  0.85406204  0.75000000  0.28666590  1.0
  Ho  Ho6  1  0.64645171  0.25000000  0.78701404  1.0
  Ho  Ho7  1  0.14717425  0.25000000  0.71564793  1.0
  Ho  Ho8  1  0.68993838  0.56259109  0.05913910  1.0
  Ho  Ho9  1  0.19145156  0.93440510  0.44084692  1.0
  Ho  Ho10  1  0.31039273  0.06217047  0.94135030  1.0
  Ho  Ho11  1  0.80759235  0.43990211  0.56053317  1.0
  Ho  Ho12  1  0.31039273  0.43782953  0.94135030  1.0
  Ho  Ho13  1  0.80759235  0.06009789  0.56053317  1.0
  Ho  Ho14  1  0.68993838  0.93740891  0.05913910  1.0
  Ho  Ho15  1  0.19145156  0.56559490  0.44084692  1.0
  Ho  Ho16  1  0.47613023  0.25000000  0.48870235  1.0
  Ho  Ho17  1  0.97392515  0.25000000  0.01110233  1.0
  Ho  Ho18  1  0.52774432  0.75000000  0.51199943  1.0
  Ho  Ho19  1  0.02680570  0.75000000  0.98861894  1.0
  Bi  Bi20  1  0.09169055  0.25000000  0.45903332  1.0
  Bi  Bi21  1  0.56583847  0.99546810  0.32642407  1.0
  Bi  Bi22  1  0.06594303  0.50375445  0.17364458  1.0
  Bi  Bi23  1  0.43367324  0.49578991  0.67391056  1.0
  Bi  Bi24  1  0.93414456  0.00365874  0.82642011  1.0
  Bi  Bi25  1  0.43367324  0.00421009  0.67391056  1.0
  Bi  Bi26  1  0.93414456  0.49634126  0.82642011  1.0
  Bi  Bi27  1  0.56583847  0.50453190  0.32642407  1.0
  Bi  Bi28  1  0.06594303  0.99624555  0.17364458  1.0
  Sb  Sb29  1  0.40741264  0.75000000  0.96125417  1.0
  Sb  Sb30  1  0.90838570  0.75000000  0.53842765  1.0
  Sb  Sb31  1  0.59301900  0.25000000  0.03862227  1.0

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