HoGa4Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30645 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

HoGa4Ni

MP-ID

mp-30645

Elements

Sites

Density

8.3722

g/cm³

Volume

199.34

Å³

Cell a

4.0620

Cell b

6.5021

Cell c

7.8158

α Angle

90.00

β Angle

105.06

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
11.73	7.5473	4.2	(0,0,1)
18.01	4.9261	6.7	(0,1,1)
22.67	3.9225	6.7	(1,0,-1)
23.58	3.7737	2.3	(0,0,2)
26.54	3.3586	7.2	(1,1,-1)
27.33	3.2638	1.4	(0,1,2)
27.43	3.2510	6.2	(0,2,0)
28.24	3.1606	1.2	(1,0,-2)
28.24	3.1606	1.2	(1,0,1)
31.47	2.8426	13.2	(1,1,-2)
35.88	2.5031	100.0	(1,2,-1)
36.48	2.4631	17.8	(0,2,2)
37.10	2.4230	51.9	(1,0,-3)
38.36	2.3463	32.2	(0,1,3)
39.70	2.2705	35.9	(1,1,-3)
39.78	2.2662	17.3	(1,2,-2)
43.44	2.0832	8.8	(0,3,1)
44.61	2.0310	36.9	(2,0,-1)
45.59	1.9896	22.3	(0,2,3)
46.76	1.9428	1.0	(1,2,-3)
47.96	1.8970	3.9	(1,3,-1)
48.43	1.8794	3.7	(0,3,2)
48.48	1.8777	1.2	(2,1,-2)
49.89	1.8278	2.0	(1,1,-4)

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Energy Properties

Formation Energy/atom

-0.53175

eV/atom

Energy/atom

-4.28011

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.6729

eV/atom

Volume/atom

16.61

Å³

c/a Ratio

1.9241

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

Ga · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.6321

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.608%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2266

smaller = more stable mixing

VEC

5.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.889

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.586

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.667

Related Tasks

Related computation task IDs (5)

aaadmyol aaadtacl aaaekmqv aaaeuadi aaafivxw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30645

Reference Citation

The crystal structure and related material properties of HoGa4Ni were obtained from the Materials Project database (MP-ID: mp-30645, 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_HoGa4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06200702
_cell_length_b   6.50208074
_cell_length_c   7.81583623
_cell_angle_alpha   90.00000000
_cell_angle_beta   105.06161048
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoGa4Ni
_chemical_formula_sum   'Ho2 Ga8 Ni2'
_cell_volume   199.33651208
_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  0.11950734  0.75000000  0.23901269  1.0
  Ho  Ho1  1  0.88049266  0.25000000  0.76098731  1.0
  Ga  Ga2  1  0.68578691  0.44825579  0.37157282  1.0
  Ga  Ga3  1  0.92932623  0.75000000  0.85865147  1.0
  Ga  Ga4  1  0.50000000  0.00000000  -0.00000000  1.0
  Ga  Ga5  1  0.31421409  0.55174421  0.62842718  1.0
  Ga  Ga6  1  0.50000000  0.50000000  -0.00000000  1.0
  Ga  Ga7  1  0.31421409  0.94825579  0.62842718  1.0
  Ga  Ga8  1  0.68578691  0.05174421  0.37157282  1.0
  Ga  Ga9  1  0.07067377  0.25000000  0.14134853  1.0
  Ni  Ni10  1  0.22429803  0.25000000  0.44859606  1.0
  Ni  Ni11  1  0.77570197  0.75000000  0.55140394  1.0

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