DyNiGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078577 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

DyNiGe2

MP-ID

mp-1078577

Elements

Sites

Density

8.7156

g/cm³

Volume

139.64

Å³

Cell a

4.1093

Cell b

4.0825

Cell c

8.5705

α Angle

103.78

β Angle

90.00

γ Angle

90.00

Space Group

Cmcm

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
10.63	8.3239	2.3	(0,0,1)
21.35	4.1619	2.9	(0,0,2)
22.42	3.9651	1.1	(0,1,-1)
24.15	3.6848	8.8	(1,0,1)
27.12	3.2885	5.3	(0,1,-2)
30.57	2.9242	4.1	(1,0,2)
31.35	2.8534	21.8	(1,1,-1)
32.26	2.7746	5.8	(0,0,3)
34.77	2.5802	39.5	(0,1,-3)
34.95	2.5676	100.0	(1,1,-2)
39.18	2.2995	29.4	(1,0,3)
41.32	2.1852	6.7	(1,1,-3)
43.49	2.0810	1.5	(0,0,4)
44.07	2.0547	27.9	(2,0,0)
44.38	2.0413	27.3	(0,2,-1)
49.07	1.8565	13.4	(1,0,4)
49.60	1.8380	1.4	(1,1,-4)
51.16	1.7856	2.6	(1,2,-2)
52.52	1.7425	1.8	(2,1,-2)
54.46	1.6849	14.1	(0,1,-5)
54.85	1.6738	1.5	(1,2,-3)
55.66	1.6512	2.5	(2,0,3)
55.92	1.6442	2.5	(0,2,-4)
57.32	1.6073	18.5	(2,1,-3)

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Energy Properties

Formation Energy/atom

-0.71436

eV/atom

Energy/atom

-5.62550

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.6753

eV/atom

Volume/atom

17.46

Å³

c/a Ratio

2.0856

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

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

18.2751

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.883%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3302

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.690

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.469

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadmglb aaaekrtu aaaeuuna aaaeztna aaafscoo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078577

Reference Citation

The crystal structure and related material properties of DyNiGe2 were obtained from the Materials Project database (MP-ID: mp-1078577, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_DyNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10932664
_cell_length_b   4.08253722
_cell_length_c   8.57048331
_cell_angle_alpha   103.77880935
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyNiGe2
_chemical_formula_sum   'Dy2 Ni2 Ge4'
_cell_volume   139.64482156
_cell_formula_units_Z   2
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  0.75000000  0.10828319  0.21656638  1.0
  Dy  Dy1  1  0.25000000  0.89171681  0.78343362  1.0
  Ni  Ni2  1  0.75000000  0.32136501  0.64273203  1.0
  Ni  Ni3  1  0.25000000  0.67863499  0.35726797  1.0
  Ge  Ge4  1  0.75000000  0.45810562  0.91621124  1.0
  Ge  Ge5  1  0.25000000  0.54189438  0.08378876  1.0
  Ge  Ge6  1  0.75000000  0.74909296  0.49818592  1.0
  Ge  Ge7  1  0.25000000  0.25090704  0.50181408  1.0

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