Dy2Ga3Tc8Ge

High-Entropy Materials HEA

MP-ID: mp-3249765 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy2Ga3Tc8Ge

MP-ID

mp-3249765

Elements

Sites

Density

10.1150

g/cm³

Volume

228.32

Å³

Cell a

7.2558

Cell b

7.2558

Cell c

4.3369

α Angle

90.00

β Angle

90.00

γ Angle

90.11

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
17.27	5.1357	1.2	(1,-1,0)
17.30	5.1256	1.2	(1,1,0)
23.90	3.7226	23.4	(1,0,1)
24.54	3.6279	1.2	(2,0,0)
26.91	3.3135	5.2	(1,-1,1)
26.93	3.3108	4.7	(1,1,1)
27.47	3.2474	2.0	(2,-1,0)
27.51	3.2423	1.6	(2,1,0)
34.50	2.5995	93.5	(2,-1,1)
34.54	2.5969	95.1	(2,1,1)
34.94	2.5678	19.3	(2,-2,0)
35.01	2.5628	18.6	(2,2,0)
39.24	2.2958	50.4	(3,-1,0)
39.29	2.2931	50.3	(3,1,0)
40.84	2.2096	72.8	(2,-2,1)
40.90	2.2064	72.3	(2,2,1)
41.65	2.1685	100.0	(0,0,2)
42.81	2.1123	20.1	(3,0,1)
44.66	2.0291	54.1	(3,-1,1)
44.70	2.0272	53.4	(3,1,1)
50.30	1.8140	3.3	(4,0,0)
51.94	1.7606	14.5	(4,-1,0)
51.99	1.7590	14.1	(4,1,0)
55.46	1.6568	10.2	(2,-2,2)

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Energy Properties

Formation Energy/atom

-0.36529

eV/atom

Energy/atom

-23.21394

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.2139

eV/atom

Volume/atom

16.31

Å³

c/a Ratio

0.5977

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 0.571

Element Family

4d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

17.3468

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.369%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2385

smaller = more stable mixing

VEC

5.214

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.952

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcxiz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249765

Reference Citation

The crystal structure and related material properties of Dy2Ga3Tc8Ge were obtained from the Materials Project database (MP-ID: mp-3249765, 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_Dy2Ga3Tc8Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25579613
_cell_length_b   7.25579613
_cell_length_c   4.33694185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.11258636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Ga3Tc8Ge
_chemical_formula_sum   'Dy2 Ga3 Tc8 Ge1'
_cell_volume   228.32470480
_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  0.50035797  0.49964203  0.00000000  1.0
  Dy  Dy1  1  0.99951673  0.00048327  0.50000000  1.0
  Ga  Ga2  1  0.70644760  0.70545464  0.50000000  1.0
  Ga  Ga3  1  0.29454536  0.29355240  0.50000000  1.0
  Ga  Ga4  1  0.79304029  0.20695971  0.00000000  1.0
  Tc  Tc5  1  0.85529221  0.39362114  0.50000000  1.0
  Tc  Tc6  1  0.89523479  0.64955261  0.00000000  1.0
  Tc  Tc7  1  0.35044739  0.10476521  0.00000000  1.0
  Tc  Tc8  1  0.60637886  0.14470779  0.50000000  1.0
  Tc  Tc9  1  0.39445523  0.85412302  0.50000000  1.0
  Tc  Tc10  1  0.10670326  0.35455950  0.00000000  1.0
  Tc  Tc11  1  0.14587698  0.60554477  0.50000000  1.0
  Tc  Tc12  1  0.64544050  0.89329674  0.00000000  1.0
  Ge  Ge13  1  0.20626182  0.79373818  0.00000000  1.0

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