DyNiGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-638084 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

DyNiGe2

MP-ID

mp-638084

Elements

Sites

Density

8.7656

g/cm³

Volume

277.70

Å³

Cell a

4.1570

Cell b

8.4464

Cell c

9.2035

α Angle

117.32

β Angle

103.04

γ Angle

90.00

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
11.19	7.9089	10.1	(0,0,1)
11.88	7.4510	2.9	(0,1,-1)
11.88	7.4504	3.0	(0,1,0)
19.85	4.4729	1.5	(0,1,-2)
19.85	4.4725	1.5	(0,1,1)
21.04	4.2232	1.8	(0,2,-1)
22.11	4.0208	1.8	(1,0,0)
22.11	4.0202	1.8	(1,0,-1)
22.48	3.9544	7.1	(0,0,2)
23.86	3.7298	6.2	(1,1,-1)
23.86	3.7297	6.2	(1,-1,0)
23.89	3.7255	12.1	(0,2,-2)
23.89	3.7252	12.1	(0,2,0)
26.42	3.3738	2.4	(1,-1,1)
26.42	3.3738	2.4	(1,1,0)
26.42	3.3732	2.4	(1,1,-2)
26.42	3.3730	2.4	(1,-1,-1)
30.17	2.9627	3.6	(0,1,-3)
30.17	2.9625	3.6	(0,1,2)
30.70	2.9121	15.2	(1,2,-1)
30.70	2.9120	15.2	(1,-2,1)
30.70	2.9119	15.1	(1,2,-2)
30.71	2.9117	15.2	(1,-2,0)
30.98	2.8867	1.2	(0,2,-3)

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Energy Properties

Formation Energy/atom

-0.70342

eV/atom

Energy/atom

-5.61456

eV/atom

Energy above Hull

0.0109

eV/atom

Uncorrected Energy

-18.6644

eV/atom

Volume/atom

17.36

Å³

c/a Ratio

2.2140

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

0.461

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadngjw aaadrgba aaaekuic aaaeudou aaafcfpc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-638084

Reference Citation

The crystal structure and related material properties of DyNiGe2 were obtained from the Materials Project database (MP-ID: mp-638084, 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   4.15701943
_cell_length_b   8.44638650
_cell_length_c   9.20349459
_cell_angle_alpha   117.32029409
_cell_angle_beta   103.03924088
_cell_angle_gamma   89.99741002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyNiGe2
_chemical_formula_sum   'Dy4 Ni4 Ge8'
_cell_volume   277.69529835
_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  0.79516190  0.29539209  0.59086138  1.0
  Dy  Dy1  1  0.00000283  0.73949807  -0.00005576  1.0
  Dy  Dy2  1  0.99999517  0.26050193  0.00005276  1.0
  Dy  Dy3  1  0.20483810  0.70460691  0.40913962  1.0
  Ni  Ni4  1  0.35230346  0.60214260  0.70296461  1.0
  Ni  Ni5  1  0.64766892  0.89915721  0.29681956  1.0
  Ni  Ni6  1  0.64769554  0.39785640  0.29703439  1.0
  Ni  Ni7  1  0.35233108  0.10084279  0.70318144  1.0
  Ge  Ge8  1  0.80538922  0.96250773  0.60911929  1.0
  Ge  Ge9  1  0.42068563  0.92054370  0.84106365  1.0
  Ge  Ge10  1  0.19461078  0.03749427  0.39087971  1.0
  Ge  Ge11  1  0.19460062  0.35352221  0.39101287  1.0
  Ge  Ge12  1  0.80540038  0.64647779  0.60899113  1.0
  Ge  Ge13  1  0.57749139  0.57717743  0.15438603  1.0
  Ge  Ge14  1  0.57931637  0.07945830  0.15893835  1.0
  Ge  Ge15  1  0.42250661  0.42281957  0.84561097  1.0

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