Ho4MoOs6W

High-Entropy Materials HEA

MP-ID: mp-3247109 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho4MoOs6W

MP-ID

mp-3247109

Elements

Sites

Density

15.8173

g/cm³

Volume

218.46

Å³

Cell a

5.1900

Cell b

5.1900

Cell c

9.0289

α Angle

90.00

β Angle

90.00

γ Angle

116.07

Space Group

Amm2

Point Group

mm2

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
9.80	9.0289	3.7	(0,0,0,1)
19.04	4.6619	8.5	(1,0,-1,0)
19.66	4.5145	5.4	(0,0,0,2)
20.17	4.4031	7.1	(1,-1,0,0)
21.45	4.1423	1.5	(1,0,-1,1)
22.47	3.9576	7.6	(1,-1,0,1)
27.50	3.2431	1.6	(1,0,-1,2)
32.59	2.7475	12.0	(1,1,-2,0)
34.65	2.5891	36.2	(2,-1,-1,0)
35.50	2.5285	76.1	(1,0,-1,3)
36.09	2.4888	2.3	(2,-1,-1,1)
36.15	2.4847	49.9	(1,-1,0,3)
38.35	2.3470	78.5	(1,1,-2,2)
38.63	2.3310	7.6	(2,0,-2,0)
39.94	2.2572	39.8	(0,0,0,4)
39.95	2.2570	56.2	(2,0,-2,1)
39.95	2.2570	56.2	(0,2,-2,1)
40.15	2.2460	100.0	(2,-1,-1,2)
41.00	2.2015	6.9	(2,-2,0,0)
42.25	2.1389	37.3	(2,-2,0,1)
43.70	2.0712	21.3	(2,0,-2,2)
44.60	2.0316	15.8	(1,0,-1,4)
45.14	2.0087	11.1	(1,-1,0,4)
45.86	1.9788	21.0	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-0.38032

eV/atom

Energy/atom

-44.28670

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-44.2867

eV/atom

Volume/atom

18.20

Å³

c/a Ratio

1.7397

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

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

Os · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1269

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3693

J/mol·K

Ω Parameter

3.9117

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.375%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4666

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.659

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8129

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctkv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247109

Reference Citation

The crystal structure and related material properties of Ho4MoOs6W were obtained from the Materials Project database (MP-ID: mp-3247109, 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_Ho4MoOs6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18999658
_cell_length_b   5.18999632
_cell_length_c   9.02890196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.07136547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho4MoOs6W
_chemical_formula_sum   'Ho4 Mo1 Os6 W1'
_cell_volume   218.45651126
_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  0.33061454  0.66938546  0.43515692  1.0
  Ho  Ho1  1  0.66918956  0.33081044  0.56479827  1.0
  Ho  Ho2  1  0.66918956  0.33081044  0.93520173  1.0
  Ho  Ho3  1  0.33061454  0.66938546  0.06484308  1.0
  Mo  Mo4  1  0.15804859  0.84195141  0.75000000  1.0
  Os  Os5  1  0.99898852  0.00101148  0.50003171  1.0
  Os  Os6  1  0.99898852  0.00101148  0.99996829  1.0
  Os  Os7  1  0.82844671  0.64681191  0.25000000  1.0
  Os  Os8  1  0.35318809  0.17155329  0.25000000  1.0
  Os  Os9  1  0.17233111  0.35210028  0.75000000  1.0
  Os  Os10  1  0.64789972  0.82766889  0.75000000  1.0
  W  W11  1  0.84250053  0.15749947  0.25000000  1.0

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