Ho3(In2Co)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-976397 · Space group: P-6 (#174)

Materials Project API

Basic Information

Formula

Ho3(In2Co)2

MP-ID

mp-976397

Elements

Sites

Density

8.8290

g/cm³

Volume

201.61

Å³

Cell a

8.1167

Cell b

8.1167

Cell c

3.5336

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6

Point Group

-6

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
12.59	7.0293	4.1	(1,0,-1,0)
21.90	4.0583	5.6	(2,-1,-1,0)
25.20	3.5336	6.3	(0,0,0,1)
25.34	3.5146	2.3	(2,0,-2,0)
28.27	3.1571	7.1	(1,0,-1,1)
33.63	2.6650	100.0	(2,-1,-1,1)
33.74	2.6568	76.9	(3,-1,-2,0)
36.04	2.4919	34.0	(2,0,-2,1)
36.04	2.4919	17.0	(2,-2,0,1)
38.42	2.3431	37.8	(3,0,-3,0)
42.57	2.1235	38.9	(3,-1,-2,1)
46.50	1.9528	3.0	(3,0,-3,1)
46.59	1.9496	4.7	(4,-1,-3,0)
51.74	1.7668	16.1	(0,0,0,2)
51.97	1.7597	1.4	(4,-2,-2,1)
52.04	1.7573	3.8	(4,0,-4,0)
52.04	1.7573	1.9	(4,-4,0,0)
53.70	1.7070	8.9	(4,-1,-3,1)
56.83	1.6200	1.0	(2,-1,-1,2)
57.12	1.6126	10.8	(5,-2,-3,0)
58.67	1.5735	16.1	(4,0,-4,1)
60.34	1.5339	7.5	(5,-1,-4,0)
63.20	1.4712	24.8	(3,-1,-2,2)
63.40	1.4671	32.2	(5,-2,-3,1)

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Energy Properties

Formation Energy/atom

-0.21067

eV/atom

Energy/atom

-4.55473

eV/atom

Energy above Hull

0.1371

eV/atom

Uncorrected Energy

-4.5547

eV/atom

Volume/atom

22.40

Å³

c/a Ratio

0.4354

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1639

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000810

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8200

J/mol·K

Ω Parameter

1.4988

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.979%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2777

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

6.837

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9656

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.342

Family

In-rich Multi-Component

Matrix Element

In · 0.444

Related Tasks

Related computation task IDs (5)

aaadcsql aaadncbk aaadsnlp aaaeubjl aaafixmz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-976397

Reference Citation

The crystal structure and related material properties of Ho3(In2Co)2 were obtained from the Materials Project database (MP-ID: mp-976397, 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_Ho3(In2Co)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11668353
_cell_length_b   8.11668353
_cell_length_c   3.53360800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999620
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3(In2Co)2
_chemical_formula_sum   'Ho3 In4 Co2'
_cell_volume   201.60729584
_cell_formula_units_Z   1
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  0.25859600  0.00364000  0.50000000  1.0
  Ho  Ho1  1  0.99636000  0.25495600  0.50000000  1.0
  Ho  Ho2  1  0.74504400  0.74140400  0.50000000  1.0
  In  In3  1  0.66666700  0.33333300  0.50000000  1.0
  In  In4  1  0.04387300  0.62883700  0.00000000  1.0
  In  In5  1  0.37116300  0.41503600  0.00000000  1.0
  In  In6  1  0.58496400  0.95612700  0.00000000  1.0
  Co  Co7  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co8  1  0.33333300  0.66666700  0.50000000  1.0

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