DyFeGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080645 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

DyFeGe2

MP-ID

mp-1080645

Elements

Sites

Density

8.2393

g/cm³

Volume

146.57

Å³

Cell a

8.4055

Cell b

8.4055

Cell c

4.3233

α Angle

90.00

β Angle

90.00

γ Angle

151.32

Space Group

Cmcm

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
10.86	8.1437	1.4	(1,-1,0)
21.83	4.0718	1.5	(2,-2,0)
22.04	4.0333	1.7	(1,0,0)
23.29	3.8186	10.9	(1,-1,1)
26.99	3.3036	4.6	(2,-1,0)
30.15	2.9642	3.8	(2,-2,1)
30.31	2.9492	20.2	(1,0,1)
33.00	2.7146	8.1	(3,-3,0)
34.16	2.6250	100.0	(2,-1,1)
34.98	2.5654	37.8	(3,-2,0)
39.19	2.2990	26.4	(3,-3,1)
40.90	2.2062	3.2	(3,-2,1)
41.79	2.1617	29.6	(0,0,2)
43.48	2.0815	26.4	(1,1,0)
49.49	1.8419	11.7	(4,-4,1)
49.90	1.8276	3.1	(2,0,1)
50.45	1.8088	1.8	(2,-1,2)
53.82	1.7034	1.4	(3,-1,1)
54.25	1.6910	4.0	(3,-3,2)
55.36	1.6597	10.2	(5,-4,0)
55.60	1.6531	19.6	(3,-2,2)
55.64	1.6518	3.8	(4,-2,0)
59.68	1.5494	4.4	(5,-4,1)
59.95	1.5430	14.8	(4,-2,1)

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Energy Properties

Formation Energy/atom

-0.45352

eV/atom

Energy/atom

-6.03713

eV/atom

Energy above Hull

0.0735

eV/atom

Uncorrected Energy

-6.0371

eV/atom

Volume/atom

18.32

Å³

c/a Ratio

0.5143

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0630

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.014080

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

3.0094

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.615%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3245

smaller = more stable mixing

VEC

6.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.247

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.380

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadmwir aaadrbcj aaaeczlt aaaeuora aaafwxuy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1080645

Reference Citation

The crystal structure and related material properties of DyFeGe2 were obtained from the Materials Project database (MP-ID: mp-1080645, 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_DyFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40548571
_cell_length_b   8.40548571
_cell_length_c   4.32332500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   151.32476289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyFeGe2
_chemical_formula_sum   'Dy2 Fe2 Ge4'
_cell_volume   146.56960022
_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  0.89396600  0.10603400  0.25000000  1.0
  Dy  Dy1  1  0.10603400  0.89396600  0.75000000  1.0
  Fe  Fe2  1  0.68452700  0.31547300  0.25000000  1.0
  Fe  Fe3  1  0.31547300  0.68452700  0.75000000  1.0
  Ge  Ge4  1  0.54379500  0.45620500  0.25000000  1.0
  Ge  Ge5  1  0.45620500  0.54379500  0.75000000  1.0
  Ge  Ge6  1  0.25268000  0.74732000  0.25000000  1.0
  Ge  Ge7  1  0.74732000  0.25268000  0.75000000  1.0

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