HoMn3Al8Fe

High-Entropy Materials HEA

MP-ID: mp-3295992 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

HoMn3Al8Fe

MP-ID

mp-3295992

Elements

Sites

Density

5.0545

g/cm³

Volume

197.59

Å³

Cell a

5.1319

Cell b

6.7076

Cell c

6.7103

α Angle

81.69

β Angle

67.80

γ Angle

67.51

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
14.26	6.2126	34.6	(0,0,1)
14.29	6.1974	40.0	(0,1,0)
20.01	4.4365	34.3	(1,1,0)
20.07	4.4234	41.1	(1,1,1)
20.24	4.3876	3.4	(0,1,1)
28.55	3.1262	25.1	(1,1,-1)
28.63	3.1177	24.4	(1,2,0)
28.68	3.1131	24.2	(1,2,1)
28.68	3.1124	24.4	(1,1,2)
28.74	3.1063	30.6	(0,0,2)
28.81	3.0987	29.9	(0,2,0)
32.24	2.7770	11.4	(0,1,-2)
32.24	2.7770	11.4	(0,1,2)
32.28	2.7729	22.1	(0,2,1)
34.97	2.5659	7.0	(2,1,1)
35.27	2.5450	36.4	(1,2,-1)
35.37	2.5375	16.8	(1,2,2)
35.37	2.5375	16.8	(1,-1,2)
37.87	2.3757	4.0	(2,1,0)
37.95	2.3708	7.2	(2,2,1)
38.01	2.3676	3.5	(2,1,2)
40.67	2.2183	73.3	(2,2,0)
40.80	2.2117	70.6	(2,2,2)
40.93	2.2051	28.8	(1,1,-2)

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Energy Properties

Formation Energy/atom

-0.41093

eV/atom

Energy/atom

-11.58027

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.5803

eV/atom

Volume/atom

15.20

Å³

c/a Ratio

1.3076

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.4708

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.047930

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.615

Element Family

PostTransition-Noble

Solute Fraction

0.385

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0318

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5781

J/mol·K

Ω Parameter

0.7979

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.824%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1224

smaller = more stable mixing

VEC

4.923

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.876

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7443

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnsy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295992

Reference Citation

The crystal structure and related material properties of HoMn3Al8Fe were obtained from the Materials Project database (MP-ID: mp-3295992, 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_HoMn3Al8Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13192282
_cell_length_b   6.70759159
_cell_length_c   6.71029575
_cell_angle_alpha   81.68748619
_cell_angle_beta   67.79500332
_cell_angle_gamma   67.50852706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMn3Al8Fe
_chemical_formula_sum   'Ho1 Mn3 Al8 Fe1'
_cell_volume   197.59016809
_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  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn2  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn3  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al4  1  0.99568564  0.66121152  0.34136932  1.0
  Al  Al5  1  0.00431436  0.33878848  0.65863068  1.0
  Al  Al6  1  0.65689815  0.33878848  0.34136932  1.0
  Al  Al7  1  0.34310185  0.66121152  0.65863068  1.0
  Al  Al8  1  0.49568552  0.22356691  0.77397845  1.0
  Al  Al9  1  0.50431448  0.77643309  0.22602155  1.0
  Al  Al10  1  0.71925242  0.77643309  0.77397845  1.0
  Al  Al11  1  0.28074758  0.22356691  0.22602155  1.0
  Fe  Fe12  1  0.50000000  0.00000000  0.50000000  1.0

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