Ho6Al12V4Os7

High-Entropy Materials HEA

MP-ID: mp-3296279 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

Ho6Al12V4Os7

MP-ID

mp-3296279

Elements

Sites

Density

9.6177

g/cm³

Volume

491.85

Å³

Cell a

8.8603

Cell b

8.8603

Cell c

8.8603

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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
12.23	7.2344	1.6	(1,0,0)
20.04	4.4302	15.1	(1,0,-1)
20.04	4.4302	3.0	(2,1,1)
23.55	3.7781	7.2	(1,1,-1)
24.61	3.6172	10.0	(2,0,0)
28.49	3.1326	28.3	(2,2,0)
28.49	3.1326	56.7	(2,0,2)
31.11	2.8747	4.5	(0,2,-1)
31.11	2.8747	22.7	(2,0,-1)
35.08	2.5578	10.6	(1,1,-2)
35.08	2.5578	14.8	(3,1,0)
37.29	2.4115	30.8	(3,0,0)
40.73	2.2151	100.0	(2,0,-2)
40.73	2.2151	20.0	(4,2,2)
42.69	2.1180	2.8	(2,1,-2)
43.33	2.0884	3.8	(3,0,-1)
45.80	1.9812	2.0	(3,2,-1)
48.17	1.8890	1.4	(2,2,-2)
48.17	1.8890	15.5	(4,2,0)
50.46	1.8086	9.2	(0,4,0)
50.46	1.8086	9.2	(4,0,0)
52.13	1.7546	7.1	(3,3,-1)
52.67	1.7377	1.1	(3,1,-2)
54.83	1.6744	2.2	(3,-1,-2)

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Energy Properties

Formation Energy/atom

-0.64889

eV/atom

Energy/atom

-24.97055

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.9706

eV/atom

Volume/atom

16.96

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0292

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000060

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.414

Element Family

PostTransition-Noble

Solute Fraction

0.586

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3074

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8700

J/mol·K

Ω Parameter

1.9954

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.279%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3309

smaller = more stable mixing

VEC

6.138

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.046

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9431

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfodz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296279

Reference Citation

The crystal structure and related material properties of Ho6Al12V4Os7 were obtained from the Materials Project database (MP-ID: mp-3296279, 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_Ho6Al12V4Os7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86030226
_cell_length_b   8.86030288
_cell_length_c   8.86030288
_cell_angle_alpha   60.00000733
_cell_angle_beta   60.00000503
_cell_angle_gamma   60.00000353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho6Al12V4Os7
_chemical_formula_sum   'Ho6 Al12 V4 Os7'
_cell_volume   491.84779410
_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  0.70961986  0.70961986  0.29038014  1.0
  Ho  Ho1  1  0.29038014  0.70961986  0.29038014  1.0
  Ho  Ho2  1  0.70961986  0.29038014  0.29038014  1.0
  Ho  Ho3  1  0.29038014  0.29038014  0.70961986  1.0
  Ho  Ho4  1  0.70961986  0.29038014  0.70961986  1.0
  Ho  Ho5  1  0.29038014  0.70961986  0.70961986  1.0
  Al  Al6  1  0.12008121  0.12008121  0.63975637  1.0
  Al  Al7  1  0.12008121  0.63975637  0.12008121  1.0
  Al  Al8  1  0.63975637  0.12008121  0.12008121  1.0
  Al  Al9  1  0.12008121  0.12008121  0.12008121  1.0
  Al  Al10  1  0.66892809  0.66892809  0.99321474  1.0
  Al  Al11  1  0.66892809  0.99321474  0.66892809  1.0
  Al  Al12  1  0.99321474  0.66892809  0.66892809  1.0
  Al  Al13  1  0.66892809  0.66892809  0.66892809  1.0
  Al  Al14  1  0.33080217  0.33080217  0.00759148  1.0
  Al  Al15  1  0.33080217  0.00759148  0.33080217  1.0
  Al  Al16  1  0.00759148  0.33080217  0.33080217  1.0
  Al  Al17  1  0.33080217  0.33080217  0.33080217  1.0
  V  V18  1  0.87947342  0.87947342  0.36158074  1.0
  V  V19  1  0.87947342  0.36158074  0.87947342  1.0
  V  V20  1  0.36158074  0.87947342  0.87947342  1.0
  V  V21  1  0.87947342  0.87947342  0.87947342  1.0
  Os  Os22  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os23  1  0.99538971  0.99538971  0.50461029  1.0
  Os  Os24  1  0.50461029  0.99538971  0.50461029  1.0
  Os  Os25  1  0.99538971  0.50461029  0.50461029  1.0
  Os  Os26  1  0.50461029  0.50461029  0.99538971  1.0
  Os  Os27  1  0.99538971  0.50461029  0.99538971  1.0
  Os  Os28  1  0.50461029  0.99538971  0.99538971  1.0

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