TbDy3Ga3Ru5

High-Entropy Materials HEA

MP-ID: mp-3293082 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

TbDy3Ga3Ru5

MP-ID

mp-3293082

Elements

Sites

Density

10.5204

g/cm³

Volume

214.81

Å³

Cell a

5.2439

Cell b

5.4393

Cell c

9.3519

α Angle

73.09

β Angle

90.41

γ Angle

121.24

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
10.04	8.8085	1.3	(0,0,1)
20.27	4.3804	13.6	(0,1,0)
25.57	3.4834	1.6	(0,1,-1)
32.93	2.7196	31.3	(1,-2,-1)
33.34	2.6872	36.8	(0,1,-2)
33.34	2.6872	36.8	(1,-1,-3)
33.56	2.6706	52.3	(1,0,3)
34.23	2.6195	41.5	(1,1,1)
34.23	2.6195	41.5	(2,-1,0)
38.92	2.3140	100.0	(1,-2,1)
39.13	2.3021	81.3	(1,-1,3)
39.31	2.2919	42.6	(0,2,2)
39.31	2.2919	42.6	(2,-2,0)
39.75	2.2678	54.7	(1,0,-3)
39.91	2.2591	75.9	(1,1,3)
40.19	2.2437	31.0	(1,1,-1)
40.19	2.2437	31.0	(2,-1,-2)
40.89	2.2069	44.2	(2,0,0)
40.98	2.2021	26.1	(0,0,4)
41.22	2.1902	34.2	(0,2,0)
41.22	2.1902	34.2	(2,-2,-2)
42.47	2.1285	24.4	(2,0,2)
59.07	1.5639	7.1	(1,-3,1)
59.07	1.5639	7.1	(2,-3,-4)

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Energy Properties

Formation Energy/atom

-0.54841

eV/atom

Energy/atom

-24.60032

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.6003

eV/atom

Volume/atom

17.90

Å³

c/a Ratio

1.7834

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0287

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000130

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ru · 0.417

Element Family

4d-TM

Solute Fraction

0.583

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2650

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5172

J/mol·K

Ω Parameter

21.6054

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.950%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4364

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.836

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9125

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjla

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293082

Reference Citation

The crystal structure and related material properties of TbDy3Ga3Ru5 were obtained from the Materials Project database (MP-ID: mp-3293082, 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_TbDy3Ga3Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24385208
_cell_length_b   5.43927465
_cell_length_c   9.35189160
_cell_angle_alpha   73.09346191
_cell_angle_beta   90.40528227
_cell_angle_gamma   121.24061996
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbDy3Ga3Ru5
_chemical_formula_sum   'Tb1 Dy3 Ga3 Ru5'
_cell_volume   214.81102246
_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
  Tb  Tb0  1  0.87847962  0.75197143  0.37453777  1.0
  Dy  Dy1  1  0.38888430  0.76004515  0.86879301  1.0
  Dy  Dy2  1  0.98626910  0.99010295  0.00606520  1.0
  Dy  Dy3  1  0.49627198  0.99783082  0.50061135  1.0
  Ga  Ga4  1  0.68749695  0.37502913  0.93744068  1.0
  Ga  Ga5  1  0.94752802  0.37708624  0.19335554  1.0
  Ga  Ga6  1  0.42760309  0.37290017  0.68180176  1.0
  Ru  Ru7  1  0.44035168  0.37171997  0.18321600  1.0
  Ru  Ru8  1  0.93479093  0.37828290  0.69164992  1.0
  Ru  Ru9  1  0.44035168  0.88541570  0.18321600  1.0
  Ru  Ru10  1  0.93479093  0.86485611  0.69164992  1.0
  Ru  Ru11  1  0.18718171  0.37475944  0.43766084  1.0

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