Dy4TmMg3Rh4

High-Entropy Materials HEA

MP-ID: mp-3293986 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy4TmMg3Rh4

MP-ID

mp-3293986

Elements

Sites

Density

8.5450

g/cm³

Volume

253.30

Å³

Cell a

4.1480

Cell b

7.0943

Cell c

8.6105

α Angle

88.52

β Angle

90.00

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
10.28	8.6076	13.0	(0,0,1)
12.48	7.0920	7.4	(0,1,0)
15.99	5.5444	17.6	(0,1,1)
16.40	5.4052	5.1	(0,1,-1)
20.64	4.3038	9.3	(0,0,2)
21.42	4.1480	3.8	(1,0,0)
23.81	3.7368	15.1	(1,0,1)
23.91	3.7223	17.5	(0,1,2)
24.47	3.6377	1.2	(0,1,-2)
24.87	3.5806	7.5	(1,1,0)
25.11	3.5460	5.1	(0,2,0)
26.84	3.3214	4.5	(1,1,1)
26.94	3.3090	2.9	(0,2,1)
27.10	3.2907	18.1	(1,1,-1)
27.45	3.2492	5.7	(0,2,-1)
29.92	2.9867	4.2	(1,0,2)
31.17	2.8692	2.0	(0,0,3)
32.29	2.7722	18.2	(0,2,2)
32.31	2.7704	66.6	(1,1,2)
32.74	2.7350	40.9	(1,1,-2)
33.15	2.7026	3.8	(0,2,-2)
33.24	2.6954	30.8	(1,2,0)
33.38	2.6841	25.1	(0,1,3)
34.01	2.6361	35.1	(0,1,-3)

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Energy Properties

Formation Energy/atom

-0.70574

eV/atom

Energy/atom

-23.38083

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.3808

eV/atom

Volume/atom

21.11

Å³

c/a Ratio

2.0758

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0077

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

1.3017

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.231%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4832

smaller = more stable mixing

VEC

7.917

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-13.865

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfktu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293986

Reference Citation

The crystal structure and related material properties of Dy4TmMg3Rh4 were obtained from the Materials Project database (MP-ID: mp-3293986, 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_Dy4TmMg3Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14803817
_cell_length_b   7.09433602
_cell_length_c   8.61049298
_cell_angle_alpha   88.51516171
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4TmMg3Rh4
_chemical_formula_sum   'Dy4 Tm1 Mg3 Rh4'
_cell_volume   253.30085886
_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  0.25000000  0.54200317  0.16242051  1.0
  Dy  Dy1  1  0.75000000  0.47269944  0.82822416  1.0
  Dy  Dy2  1  0.25000000  0.01667198  0.31787364  1.0
  Dy  Dy3  1  0.75000000  0.95830764  0.68132863  1.0
  Tm  Tm4  1  0.75000000  0.36301618  0.43999584  1.0
  Mg  Mg5  1  0.25000000  0.13781013  0.94347509  1.0
  Mg  Mg6  1  0.75000000  0.86676274  0.05722695  1.0
  Mg  Mg7  1  0.25000000  0.64600657  0.56777409  1.0
  Rh  Rh8  1  0.75000000  0.74491330  0.37484677  1.0
  Rh  Rh9  1  0.25000000  0.24176778  0.62384885  1.0
  Rh  Rh10  1  0.75000000  0.25306821  0.12740141  1.0
  Rh  Rh11  1  0.25000000  0.75697485  0.87558406  1.0

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