HoNiGe3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079921 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

HoNiGe3

MP-ID

mp-1079921

Elements

Sites

Density

8.3085

g/cm³

Volume

176.49

Å³

Cell a

10.9123

Cell b

10.9123

Cell c

4.0633

α Angle

90.00

β Angle

90.00

γ Angle

158.61

Space Group

Cmmm

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
8.25	10.7227	4.8	(1,-1,0)
16.53	5.3614	6.6	(2,-2,0)
25.27	3.5244	7.8	(2,-1,0)
27.54	3.2383	3.4	(2,-2,1)
30.35	2.9450	5.0	(3,-2,0)
33.39	2.6837	25.4	(3,-3,1)
33.43	2.6807	10.7	(4,-4,0)
33.66	2.6624	100.0	(2,-1,1)
36.78	2.4435	7.3	(4,-3,0)
37.72	2.3846	12.7	(3,-2,1)
40.31	2.2376	5.7	(4,-4,1)
42.14	2.1445	1.6	(5,-5,0)
43.20	2.0940	8.4	(4,-3,1)
44.09	2.0539	21.8	(5,-4,0)
44.60	2.0316	24.4	(0,0,2)
44.74	2.0255	24.2	(1,1,0)
47.97	1.8966	4.5	(5,-5,1)
49.74	1.8330	5.1	(5,-4,1)
51.95	1.7601	2.3	(2,-1,2)
52.06	1.7567	3.0	(6,-5,0)
53.35	1.7172	1.2	(3,-1,1)
54.90	1.6723	1.8	(3,-2,2)
56.23	1.6359	7.6	(6,-6,1)
56.87	1.6192	4.7	(4,-4,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.56144

eV/atom

Energy/atom

-5.41082

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.8930

eV/atom

Volume/atom

17.65

Å³

c/a Ratio

0.3724

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 · 0.600

Element Family

PostTransition-Noble

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

16.9398

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.914%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3045

smaller = more stable mixing

VEC

6.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.662

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.534

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.600

Related Tasks

Related computation task IDs (5)

aaadnauz aaadtaea aaaekuip aaaeubqa aaafiqpn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079921

Reference Citation

The crystal structure and related material properties of HoNiGe3 were obtained from the Materials Project database (MP-ID: mp-1079921, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_HoNiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91233590
_cell_length_b   10.91233590
_cell_length_c   4.06326307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   158.60644817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoNiGe3
_chemical_formula_sum   'Ho2 Ni2 Ge6'
_cell_volume   176.49478868
_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  0.16860235  0.83139765  0.50000000  1.0
  Ho  Ho1  1  0.83139765  0.16860235  0.50000000  1.0
  Ni  Ni2  1  0.38935413  0.61064587  -0.00000000  1.0
  Ni  Ni3  1  0.61064587  0.38935413  0.00000000  1.0
  Ge  Ge4  1  0.28360149  0.71639851  0.00000000  1.0
  Ge  Ge5  1  0.71639851  0.28360149  0.00000000  1.0
  Ge  Ge6  1  0.44256139  0.55743861  0.50000000  1.0
  Ge  Ge7  1  0.55743861  0.44256139  0.50000000  1.0
  Ge  Ge8  1  0.05757859  0.94242141  -0.00000000  1.0
  Ge  Ge9  1  0.94242141  0.05757859  -0.00000000  1.0

Get direct link