HoTm(FeOs)2

High-Entropy Materials HEA

MP-ID: mp-3249387 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

HoTm(FeOs)2

MP-ID

mp-3249387

Elements

Sites

Density

13.4569

g/cm³

Volume

101.93

Å³

Cell a

5.2209

Cell b

5.2573

Cell c

5.2573

α Angle

59.42

β Angle

60.23

γ Angle

60.23

Space Group

Imm2

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
20.74	4.2836	30.2	(1,1,1)
20.76	4.2782	10.1	(0,1,0)
20.76	4.2782	10.1	(0,0,1)
23.75	3.7464	32.0	(0,1,1)
34.11	2.6283	48.0	(1,2,1)
34.11	2.6283	48.0	(1,1,2)
34.35	2.6105	73.5	(2,1,1)
34.42	2.6056	1.3	(0,1,-1)
40.02	2.2531	54.0	(1,2,2)
40.02	2.2531	54.0	(1,-1,-1)
40.03	2.2523	16.5	(0,2,1)
40.03	2.2523	16.5	(0,1,2)
40.48	2.2284	17.3	(2,2,1)
40.48	2.2284	51.8	(2,1,0)
40.52	2.2261	100.0	(1,2,0)
40.52	2.2261	100.0	(1,1,-1)
42.19	2.1418	28.3	(2,2,2)
42.19	2.1418	28.3	(2,0,0)
42.25	2.1391	30.4	(0,2,0)
42.25	2.1391	30.4	(0,0,2)
48.60	1.8732	2.0	(0,2,2)
49.42	1.8441	1.9	(2,2,0)
49.42	1.8441	1.9	(2,0,2)
53.75	1.7053	2.2	(2,0,-1)

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Energy Properties

Formation Energy/atom

-0.32251

eV/atom

Energy/atom

-34.12245

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.1225

eV/atom

Volume/atom

16.99

Å³

c/a Ratio

1.0070

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0149

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.049200

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Fe · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

3.6962

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.654%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3954

smaller = more stable mixing

VEC

9.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.872

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcwul

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249387

Reference Citation

The crystal structure and related material properties of HoTm(FeOs)2 were obtained from the Materials Project database (MP-ID: mp-3249387, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_HoTm(FeOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22090871
_cell_length_b   5.25728173
_cell_length_c   5.25728024
_cell_angle_alpha   59.42017217
_cell_angle_beta   60.22859264
_cell_angle_gamma   60.22859465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTm(FeOs)2
_chemical_formula_sum   'Ho1 Tm1 Fe2 Os2'
_cell_volume   101.92794260
_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  0.25214739  0.24785261  0.24785261  1.0
  Tm  Tm1  1  0.99766855  0.00233145  0.00233145  1.0
  Fe  Fe2  1  0.12469449  0.62500939  0.62500939  1.0
  Fe  Fe3  1  0.62528473  0.62500939  0.62500939  1.0
  Os  Os4  1  0.62510142  0.62488347  0.12491068  1.0
  Os  Os5  1  0.62510142  0.12491068  0.62488347  1.0

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