Dy15Tm5(Bi2Ir)4

High-Entropy Materials HEA

MP-ID: mp-3294363 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy15Tm5(Bi2Ir)4

MP-ID

mp-3294363

Elements

Sites

Density

10.6970

g/cm³

Volume

888.39

Å³

Cell a

8.0174

Cell b

8.8726

Cell c

12.4889

α Angle

89.87

β Angle

90.06

γ Angle

90.03

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

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
13.12	6.7498	2.7	(1,0,-1)
13.13	6.7439	2.5	(1,0,1)
14.18	6.2444	6.2	(0,0,2)
14.89	5.9503	4.7	(1,-1,0)
14.90	5.9469	4.3	(1,1,0)
18.00	4.9288	1.3	(1,0,-2)
18.01	4.9242	1.4	(1,0,2)
20.60	4.3125	1.3	(1,-1,-2)
20.62	4.3081	1.1	(1,1,2)
20.63	4.3047	1.5	(1,1,-2)
20.64	4.3029	1.6	(1,-1,2)
22.18	4.0087	22.6	(2,0,0)
23.30	3.8180	2.3	(2,0,-1)
23.31	3.8158	2.2	(2,0,1)
23.99	3.7101	4.9	(1,-2,-1)
24.00	3.7075	4.9	(1,2,1)
24.02	3.7050	4.9	(1,-2,1)
24.02	3.7043	4.8	(1,2,-1)
24.08	3.6960	20.3	(1,0,-3)
24.10	3.6931	20.3	(1,0,3)
24.59	3.6204	4.3	(0,2,2)
24.64	3.6127	4.0	(0,2,-2)
27.01	3.3008	7.1	(1,-2,-2)
27.03	3.2983	7.1	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.91204

eV/atom

Energy/atom

-42.56167

eV/atom

Energy above Hull

0.0001

eV/atom

Uncorrected Energy

-42.5617

eV/atom

Volume/atom

27.76

Å³

c/a Ratio

1.5577

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.9453

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003320

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.469

Element Family

Lanthanide

Solute Fraction

0.531

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2517

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.4068

J/mol·K

Ω Parameter

6.5786

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.882%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4161

smaller = more stable mixing

VEC

9.094

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.452

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9029

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflih

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294363

Reference Citation

The crystal structure and related material properties of Dy15Tm5(Bi2Ir)4 were obtained from the Materials Project database (MP-ID: mp-3294363, 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_Dy15Tm5(Bi2Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01740642
_cell_length_b   8.87254915
_cell_length_c   12.48885894
_cell_angle_alpha   89.87126761
_cell_angle_beta   90.05519861
_cell_angle_gamma   90.03305909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy15Tm5(Bi2Ir)4
_chemical_formula_sum   'Dy15 Tm5 Bi8 Ir4'
_cell_volume   888.39008744
_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  0.83761893  0.75051067  0.79362172  1.0
  Dy  Dy1  1  0.16266868  0.24933913  0.20696508  1.0
  Dy  Dy2  1  0.33806350  0.24978674  0.70592167  1.0
  Dy  Dy3  1  0.66234447  0.74979310  0.29347188  1.0
  Dy  Dy4  1  0.37309964  0.75014422  0.69111888  1.0
  Dy  Dy5  1  0.62515671  0.24979443  0.30842918  1.0
  Dy  Dy6  1  0.87363528  0.24819877  0.80847477  1.0
  Dy  Dy7  1  0.12590368  0.75182700  0.19213011  1.0
  Dy  Dy8  1  0.94280898  0.75120250  0.50141971  1.0
  Dy  Dy9  1  0.05961305  0.24926175  0.49827213  1.0
  Dy  Dy10  1  0.44156386  0.24763098  0.99854190  1.0
  Dy  Dy11  1  0.55791530  0.75217916  0.00136162  1.0
  Dy  Dy12  1  0.67402399  0.45760459  0.56610650  1.0
  Dy  Dy13  1  0.82568859  0.45773993  0.06658597  1.0
  Dy  Dy14  1  0.17407481  0.54212815  0.93390377  1.0
  Tm  Tm15  1  0.67020932  0.04294385  0.56638216  1.0
  Tm  Tm16  1  0.33035059  0.95664154  0.43299093  1.0
  Tm  Tm17  1  0.16964832  0.95644688  0.93316334  1.0
  Tm  Tm18  1  0.32927521  0.54305241  0.43345337  1.0
  Tm  Tm19  1  0.83009406  0.04339259  0.06730435  1.0
  Bi  Bi20  1  0.56403670  0.49084620  0.82802033  1.0
  Bi  Bi21  1  0.43515493  0.50943385  0.17199948  1.0
  Bi  Bi22  1  0.06310753  0.50875119  0.67264335  1.0
  Bi  Bi23  1  0.43792545  0.99092238  0.17295569  1.0
  Bi  Bi24  1  0.93756522  0.49125715  0.32816379  1.0
  Bi  Bi25  1  0.56157435  0.00857805  0.82670096  1.0
  Bi  Bi26  1  0.93695825  0.00918977  0.32780240  1.0
  Bi  Bi27  1  0.06225406  0.99109694  0.67246987  1.0
  Ir  Ir28  1  0.57034971  0.75109026  0.50872689  1.0
  Ir  Ir29  1  0.42774384  0.24935573  0.49028403  1.0
  Ir  Ir30  1  0.07128327  0.24796362  0.99107731  1.0
  Ir  Ir31  1  0.92828973  0.75189547  0.00953787  1.0

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