HoFeGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080783 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

HoFeGe2

MP-ID

mp-1080783

Elements

Sites

Density

8.4583

g/cm³

Volume

143.73

Å³

Cell a

8.5432

Cell b

8.5432

Cell c

4.2052

α Angle

90.00

β Angle

90.00

γ Angle

152.08

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
10.67	8.2908	1.9	(1,-1,0)
21.44	4.1454	3.0	(2,-2,0)
22.22	4.0007	1.6	(1,0,0)
23.72	3.7504	10.4	(1,-1,1)
26.98	3.3045	5.6	(2,-1,0)
30.28	2.9522	3.0	(2,-2,1)
30.85	2.8985	20.5	(1,0,1)
32.40	2.7636	7.3	(3,-3,0)
34.52	2.5983	100.0	(2,-1,1)
34.72	2.5840	35.7	(3,-2,0)
39.00	2.3095	28.3	(3,-3,1)
41.00	2.2016	5.2	(3,-2,1)
43.02	2.1026	27.5	(0,0,2)
43.67	2.0727	1.3	(4,-4,0)
43.93	2.0612	25.9	(1,1,0)
49.00	1.8591	11.4	(4,-4,1)
50.53	1.8064	3.0	(2,0,1)
51.52	1.7740	2.1	(2,-1,2)
54.28	1.6900	1.1	(3,-1,1)
54.56	1.6821	12.8	(5,-4,0)
54.86	1.6734	3.4	(3,-3,2)
55.63	1.6523	3.2	(4,-2,0)
56.42	1.6309	17.4	(3,-2,2)
59.16	1.5618	3.0	(5,-4,1)

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Energy Properties

Formation Energy/atom

-0.44338

eV/atom

Energy/atom

-6.02182

eV/atom

Energy above Hull

0.0766

eV/atom

Uncorrected Energy

-6.0218

eV/atom

Volume/atom

17.97

Å³

c/a Ratio

0.4922

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0042

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

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

3.0369

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.615%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3203

smaller = more stable mixing

VEC

6.750

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

0.378

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadczgy aaadnecu aaadsxjc aaaeultt aaafiwft

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1080783

Reference Citation

The crystal structure and related material properties of HoFeGe2 were obtained from the Materials Project database (MP-ID: mp-1080783, 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_HoFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54319756
_cell_length_b   8.54319756
_cell_length_c   4.20524300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.07688924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoFeGe2
_chemical_formula_sum   'Ho2 Fe2 Ge4'
_cell_volume   143.72866856
_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
  Ho  Ho0  1  0.89170600  0.10829400  0.25000000  1.0
  Ho  Ho1  1  0.10829400  0.89170600  0.75000000  1.0
  Fe  Fe2  1  0.68103800  0.31896200  0.25000000  1.0
  Fe  Fe3  1  0.31896200  0.68103800  0.75000000  1.0
  Ge  Ge4  1  0.54486600  0.45513400  0.25000000  1.0
  Ge  Ge5  1  0.45513400  0.54486600  0.75000000  1.0
  Ge  Ge6  1  0.25165600  0.74834400  0.25000000  1.0
  Ge  Ge7  1  0.74834400  0.25165600  0.75000000  1.0

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