DyTm5(LuIn2)4

High-Entropy Materials HEA

MP-ID: mp-3292232 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

DyTm5(LuIn2)4

MP-ID

mp-3292232

Elements

Sites

Density

9.3066

g/cm³

Volume

468.47

Å³

Cell a

9.0775

Cell b

9.0988

Cell c

6.5443

α Angle

90.00

β Angle

90.00

γ Angle

119.92

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
23.82	3.7355	4.3	(1,-2,1)
23.86	3.7296	2.4	(2,-1,1)
27.25	3.2722	8.9	(0,0,2)
29.57	3.0213	1.6	(1,-1,2)
33.03	2.7118	14.1	(1,-3,1)
33.06	2.7095	7.3	(2,-3,1)
33.06	2.7095	7.3	(2,1,1)
33.11	2.7058	13.9	(3,-2,1)
33.74	2.6564	100.0	(1,-2,2)
33.77	2.6543	49.6	(2,-1,2)
34.11	2.6287	42.9	(0,3,0)
34.19	2.6225	86.1	(3,-3,0)
43.64	2.0741	4.7	(1,-4,1)
43.70	2.0714	2.1	(3,-4,1)
43.70	2.0714	2.1	(3,1,1)
43.75	2.0690	4.3	(4,-3,1)
44.20	2.0493	1.5	(0,3,2)
44.26	2.0464	3.1	(3,-3,2)
48.76	1.8677	14.8	(2,-4,2)
48.76	1.8677	14.8	(2,2,2)
48.84	1.8648	15.1	(4,-2,2)
51.95	1.7601	3.9	(1,-3,3)
51.97	1.7595	4.1	(2,-3,3)
52.00	1.7585	3.9	(3,-2,3)

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Energy Properties

Formation Energy/atom

-0.53457

eV/atom

Energy/atom

-30.56430

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.5643

eV/atom

Volume/atom

26.03

Å³

c/a Ratio

0.7209

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7341

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001570

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0686

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.319%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2611

smaller = more stable mixing

VEC

5.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiei

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292232

Reference Citation

The crystal structure and related material properties of DyTm5(LuIn2)4 were obtained from the Materials Project database (MP-ID: mp-3292232, 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_DyTm5(LuIn2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07746045
_cell_length_b   9.09880471
_cell_length_c   6.54434290
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92243795
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyTm5(LuIn2)4
_chemical_formula_sum   'Dy1 Tm5 Lu4 In8'
_cell_volume   468.47270020
_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  0.28915139  1.00000000  0.75000000  1.0
  Tm  Tm1  1  0.70736983  0.00000000  0.25000000  1.0
  Tm  Tm2  1  0.00137415  0.29004227  0.75000000  1.0
  Tm  Tm3  1  0.00014841  0.71006471  0.25000000  1.0
  Tm  Tm4  1  0.71133188  0.70995773  0.75000000  1.0
  Tm  Tm5  1  0.29008471  0.28993529  0.25000000  1.0
  Lu  Lu6  1  0.33332312  0.66525727  0.49991510  1.0
  Lu  Lu7  1  0.66806685  0.33474273  0.49991510  1.0
  Lu  Lu8  1  0.66806685  0.33474273  0.00008490  1.0
  Lu  Lu9  1  0.33332312  0.66525727  0.00008490  1.0
  In  In10  1  0.99749629  1.00000000  0.49805336  1.0
  In  In11  1  0.99749629  1.00000000  0.00194664  1.0
  In  In12  1  0.62921195  1.00000000  0.75000000  1.0
  In  In13  1  0.37230912  0.00000000  0.25000000  1.0
  In  In14  1  0.99965981  0.62468542  0.75000000  1.0
  In  In15  1  0.99976652  0.37291818  0.25000000  1.0
  In  In16  1  0.37497339  0.37531458  0.75000000  1.0
  In  In17  1  0.62684733  0.62708182  0.25000000  1.0

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