Ho4MnNbOs6

High-Entropy Materials HEA

MP-ID: mp-3294840 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho4MnNbOs6

MP-ID

mp-3294840

Elements

Sites

Density

14.8270

g/cm³

Volume

218.27

Å³

Cell a

5.2632

Cell b

5.2632

Cell c

8.8951

α Angle

90.00

β Angle

90.00

γ Angle

117.65

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
19.04	4.6622	1.3	(1,0,-1,0)
19.04	4.6622	1.3	(0,1,-1,0)
19.71	4.5031	14.0	(1,-1,0,0)
21.52	4.1294	1.6	(1,0,-1,1)
22.13	4.0176	19.0	(1,-1,0,1)
27.72	3.2181	4.3	(1,0,-1,2)
28.20	3.1643	3.5	(1,-1,0,2)
32.87	2.7246	7.7	(1,1,-2,0)
34.10	2.6294	27.2	(2,-1,-1,0)
34.10	2.6294	27.2	(1,-2,1,0)
35.89	2.5019	61.1	(1,0,-1,3)
36.28	2.4764	63.2	(1,-1,0,3)
38.62	2.3311	4.4	(2,0,-2,0)
38.62	2.3311	4.4	(0,2,-2,0)
38.76	2.3233	100.0	(1,1,-2,2)
39.83	2.2635	44.1	(2,-1,-1,2)
39.83	2.2635	44.1	(1,-2,1,2)
39.98	2.2550	45.0	(2,0,-2,1)
39.98	2.2550	45.0	(0,2,-2,1)
40.05	2.2516	3.0	(2,-2,0,0)
40.57	2.2238	34.1	(0,0,0,4)
41.37	2.1827	42.2	(2,-2,0,1)
43.85	2.0647	22.5	(2,0,-2,2)
45.13	2.0088	13.8	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-0.40756

eV/atom

Energy/atom

-41.14541

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.1454

eV/atom

Volume/atom

18.19

Å³

c/a Ratio

1.6901

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.3098

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.010580

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

2.5042

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.845%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4428

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.678

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8129

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmaq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294840

Reference Citation

The crystal structure and related material properties of Ho4MnNbOs6 were obtained from the Materials Project database (MP-ID: mp-3294840, 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_Ho4MnNbOs6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26321037
_cell_length_b   5.26320943
_cell_length_c   8.89506987
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.64770354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho4MnNbOs6
_chemical_formula_sum   'Ho4 Mn1 Nb1 Os6'
_cell_volume   218.27048781
_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  0.32687989  0.67312011  0.43867261  1.0
  Ho  Ho1  1  0.66774730  0.33225270  0.56638112  1.0
  Ho  Ho2  1  0.66774730  0.33225270  0.93361888  1.0
  Ho  Ho3  1  0.32687989  0.67312011  0.06132739  1.0
  Mn  Mn4  1  0.17011299  0.82988701  0.75000000  1.0
  Nb  Nb5  1  0.84040665  0.15959335  0.25000000  1.0
  Os  Os6  1  0.99614885  0.00385115  0.50978269  1.0
  Os  Os7  1  0.99614885  0.00385115  0.99021731  1.0
  Os  Os8  1  0.82207723  0.65067425  0.25000000  1.0
  Os  Os9  1  0.34932575  0.17792277  0.25000000  1.0
  Os  Os10  1  0.18155240  0.34502309  0.75000000  1.0
  Os  Os11  1  0.65497691  0.81844760  0.75000000  1.0

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