Ho6GaTcNi

High-Entropy Materials HEA

MP-ID: mp-3296477 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ho6GaTcNi

MP-ID

mp-3296477

Elements

Sites

Density

9.3027

g/cm³

Volume

434.11

Å³

Cell a

8.2793

Cell b

8.2793

Cell c

8.2793

α Angle

113.14

β Angle

111.07

γ Angle

104.33

Space Group

Immm

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
13.04	6.7871	6.1	(1,0,-1)
13.55	6.5365	7.8	(0,0,1)
22.17	4.0103	2.4	(1,1,-2)
25.87	3.4435	4.1	(0,2,-2)
26.26	3.3935	31.3	(2,0,-2)
27.29	3.2683	10.2	(0,0,2)
28.02	3.1841	34.1	(1,2,-2)
28.11	3.1741	1.8	(2,1,-2)
29.93	2.9854	23.9	(1,-2,2)
30.25	2.9550	13.2	(1,-1,2)
30.69	2.9132	1.6	(2,-1,-2)
30.92	2.8925	42.2	(1,-1,-2)
32.58	2.7483	100.0	(3,-1,-1)
34.12	2.6278	2.8	(1,2,-3)
34.35	2.6109	54.7	(2,1,-3)
35.14	2.5541	91.4	(0,2,-3)
35.35	2.5392	23.9	(2,2,-2)
35.72	2.5134	7.5	(2,0,-3)
35.95	2.4979	72.3	(0,1,-3)
36.31	2.4739	37.7	(1,0,-3)
38.02	2.3669	13.5	(2,2,-3)
38.43	2.3425	9.0	(2,-2,2)
39.51	2.2807	28.0	(2,-2,-2)
39.85	2.2624	34.2	(3,0,-3)

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Energy Properties

Formation Energy/atom

-0.34849

eV/atom

Energy/atom

-27.75707

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.7571

eV/atom

Volume/atom

24.12

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0668

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000150

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0027

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.3366

J/mol·K

Ω Parameter

13.9413

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.965%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3044

smaller = more stable mixing

VEC

9.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.988

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7233

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfolp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296477

Reference Citation

The crystal structure and related material properties of Ho6GaTcNi were obtained from the Materials Project database (MP-ID: mp-3296477, 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

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Raw CIF Data

# generated using pymatgen
data_Ho6GaTcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27928734
_cell_length_b   8.27928720
_cell_length_c   8.27928751
_cell_angle_alpha   113.13568414
_cell_angle_beta   111.07445420
_cell_angle_gamma   104.33017520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho6GaTcNi
_chemical_formula_sum   'Ho12 Ga2 Tc2 Ni2'
_cell_volume   434.11337899
_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  0.05395370  0.74495885  0.30899485  1.0
  Ho  Ho1  1  0.94604630  0.25504115  0.69100515  1.0
  Ho  Ho2  1  0.56403800  0.25504115  0.30899485  1.0
  Ho  Ho3  1  0.43596200  0.74495885  0.69100515  1.0
  Ho  Ho4  1  0.66749702  0.85089700  0.18339798  1.0
  Ho  Ho5  1  0.33250298  0.51590095  0.18339798  1.0
  Ho  Ho6  1  0.33250298  0.14910300  0.81660202  1.0
  Ho  Ho7  1  0.66749702  0.48409905  0.81660202  1.0
  Ho  Ho8  1  0.17899275  0.21836376  0.39735751  1.0
  Ho  Ho9  1  0.82100725  0.21836376  0.03937101  1.0
  Ho  Ho10  1  0.17899275  0.78163624  0.96062899  1.0
  Ho  Ho11  1  0.82100725  0.78163624  0.60264249  1.0
  Ga  Ga12  1  0.00000000  0.50000000  0.50000000  1.0
  Ga  Ga13  1  0.50000000  0.00000000  0.50000000  1.0
  Tc  Tc14  1  0.68353886  0.50000000  0.18353886  1.0
  Tc  Tc15  1  0.31646114  0.50000000  0.81646114  1.0
  Ni  Ni16  1  0.88355883  0.88355883  0.00000000  1.0
  Ni  Ni17  1  0.11644117  0.11644117  1.00000000  1.0

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