DyGeRh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-9529 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

DyGeRh

MP-ID

mp-9529

Elements

Sites

Density

10.0695

g/cm³

Volume

222.98

Å³

Cell a

4.2988

Cell b

6.9115

Cell c

7.5050

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

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
17.44	5.0841	1.3	(0,1,1)
17.44	5.0841	1.3	(0,1,-1)
23.71	3.7525	2.6	(0,0,2)
23.85	3.7302	15.4	(1,0,1)
25.78	3.4558	5.2	(0,2,0)
27.17	3.2827	1.5	(1,1,1)
27.17	3.2827	1.5	(1,1,-1)
33.26	2.6934	7.4	(1,2,0)
34.27	2.6166	45.2	(1,1,2)
34.27	2.6166	45.2	(1,1,-2)
35.31	2.5420	21.7	(0,2,2)
35.31	2.5420	21.6	(0,2,-2)
35.41	2.5351	100.0	(1,2,1)
35.41	2.5351	33.3	(1,2,-1)
38.26	2.3523	13.4	(0,1,3)
38.26	2.3523	13.4	(0,1,-3)
40.98	2.2024	18.2	(0,3,1)
40.98	2.2024	18.2	(0,3,-1)
41.26	2.1881	3.0	(1,2,2)
41.26	2.1881	3.0	(1,2,-2)
41.78	2.1622	63.0	(1,0,3)
42.04	2.1494	55.9	(2,0,0)
43.87	2.0636	2.5	(1,1,3)
43.87	2.0636	2.6	(1,1,-3)

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Energy Properties

Formation Energy/atom

-0.97516

eV/atom

Energy/atom

-6.51040

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.3964

eV/atom

Volume/atom

18.58

Å³

c/a Ratio

1.7458

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

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

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

16.3342

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.042%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4498

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.956

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.333

Related Tasks

Related computation task IDs (5)

aaadness aaadsvmu aaaelogx aaaetwsa aaafskiz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9529

Reference Citation

The crystal structure and related material properties of DyGeRh were obtained from the Materials Project database (MP-ID: mp-9529, 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_DyGeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29883450
_cell_length_b   6.91153063
_cell_length_c   7.50498148
_cell_angle_alpha   89.99997651
_cell_angle_beta   89.99999872
_cell_angle_gamma   90.00000030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyGeRh
_chemical_formula_sum   'Dy4 Ge4 Rh4'
_cell_volume   222.98445477
_cell_formula_units_Z   4
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  0.24999999  0.00054228  0.30408613  1.0
  Dy  Dy1  1  0.25000009  0.50055557  0.19584959  1.0
  Dy  Dy2  1  0.75000000  -0.00053970  0.69591000  1.0
  Dy  Dy3  1  0.74999997  0.49944062  0.80414427  1.0
  Ge  Ge4  1  0.25000001  0.28983845  0.60498256  1.0
  Ge  Ge5  1  0.24999998  0.78985560  0.89502259  1.0
  Ge  Ge6  1  0.75000004  0.71015066  0.39501989  1.0
  Ge  Ge7  1  0.75000000  0.21015494  0.10497427  1.0
  Rh  Rh8  1  0.24999995  0.15494769  0.93237725  1.0
  Rh  Rh9  1  0.25000008  0.65498350  0.56764933  1.0
  Rh  Rh10  1  0.74999991  0.84505320  0.06762963  1.0
  Rh  Rh11  1  0.74999998  0.34501820  0.43235349  1.0

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