HoMnB4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-978098 · Space group: Pbam (#55)

Materials Project API

Basic Information

Formula

HoMnB4

MP-ID

mp-978098

Elements

Sites

Density

7.6219

g/cm³

Volume

229.29

Å³

Cell a

3.3744

Cell b

5.9247

Cell c

11.4689

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pbam

Point Group

mmm

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
15.45	5.7344	3.9	(0,0,2)
16.84	5.2638	13.8	(0,1,1)
21.57	4.1205	43.0	(0,1,2)
26.41	3.3744	96.6	(1,0,0)
27.77	3.2123	49.8	(0,1,3)
30.74	2.9083	2.9	(1,0,2)
31.18	2.8682	86.1	(0,2,1)
31.19	2.8672	44.5	(0,0,4)
31.49	2.8408	9.9	(1,1,1)
34.35	2.6107	36.0	(1,1,2)
34.76	2.5809	26.1	(0,1,4)
38.44	2.3416	20.2	(0,2,3)
38.70	2.3266	52.4	(1,1,3)
41.31	2.1854	100.0	(1,2,1)
41.32	2.1850	51.2	(1,0,4)
42.25	2.1391	1.6	(0,1,5)
44.18	2.0500	34.4	(1,1,4)
46.67	1.9463	1.9	(0,3,1)
47.25	1.9238	29.6	(1,2,3)
47.57	1.9115	4.7	(0,0,6)
48.77	1.8673	7.6	(0,3,2)
50.15	1.8191	4.5	(0,1,6)
50.31	1.8136	22.8	(0,2,5)
50.52	1.8067	2.7	(1,1,5)

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Energy Properties

Formation Energy/atom

-0.66509

eV/atom

Energy/atom

-7.41130

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.5207

eV/atom

Volume/atom

9.55

Å³

c/a Ratio

3.3988

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.2541

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.031640

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.667

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.8553

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

28.931%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3200

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.778

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.586

Family

Interstitial Alloy

Matrix Element

B · 0.667

Related Tasks

Related computation task IDs (5)

aaadpeyy aaadrglm aaaetmqc aaafwuvu aaafzxzy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978098

Reference Citation

The crystal structure and related material properties of HoMnB4 were obtained from the Materials Project database (MP-ID: mp-978098, 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_HoMnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37442362
_cell_length_b   5.92472058
_cell_length_c   11.46886427
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMnB4
_chemical_formula_sum   'Ho4 Mn4 B16'
_cell_volume   229.29146466
_cell_formula_units_Z   4
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  0.50000000  0.62721516  0.15021139  1.0
  Ho  Ho1  1  0.50000000  0.37278484  0.84978861  1.0
  Ho  Ho2  1  0.50000000  0.12721516  0.34978861  1.0
  Ho  Ho3  1  0.50000000  0.87278484  0.65021139  1.0
  Mn  Mn4  1  0.50000000  0.63191240  0.41356947  1.0
  Mn  Mn5  1  0.50000000  0.36808760  0.58643053  1.0
  Mn  Mn6  1  0.50000000  0.13191240  0.08643053  1.0
  Mn  Mn7  1  0.50000000  0.86808760  0.91356947  1.0
  B  B8  1  0.00000000  0.97641080  0.19114157  1.0
  B  B9  1  0.00000000  0.02358920  0.80885843  1.0
  B  B10  1  0.00000000  0.47641080  0.30885843  1.0
  B  B11  1  0.00000000  0.52358920  0.69114157  1.0
  B  B12  1  0.00000000  0.78377621  0.31495737  1.0
  B  B13  1  0.00000000  0.21622379  0.68504263  1.0
  B  B14  1  0.00000000  0.28377621  0.18504263  1.0
  B  B15  1  0.00000000  0.71622379  0.81495737  1.0
  B  B16  1  0.00000000  0.86231524  0.46783491  1.0
  B  B17  1  0.00000000  0.13768476  0.53216509  1.0
  B  B18  1  0.00000000  0.36231524  0.03216509  1.0
  B  B19  1  0.00000000  0.63768476  0.96783491  1.0
  B  B20  1  0.00000000  0.88719522  0.04664771  1.0
  B  B21  1  0.00000000  0.11280478  0.95335229  1.0
  B  B22  1  0.00000000  0.38719522  0.45335229  1.0
  B  B23  1  0.00000000  0.61280478  0.54664771  1.0

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