HoVB4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-973524 · Space group: Pbam (#55)

Materials Project API

Basic Information

Formula

HoVB4

MP-ID

mp-973524

Elements

Sites

Density

7.2482

g/cm³

Volume

237.45

Å³

Cell a

3.4223

Cell b

5.9868

Cell c

11.5893

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
15.29	5.7947	5.4	(0,0,2)
16.67	5.3190	16.8	(0,1,1)
21.34	4.1637	47.9	(0,1,2)
26.04	3.4223	93.6	(1,0,0)
27.48	3.2460	56.6	(0,1,3)
30.33	2.9468	3.7	(1,0,2)
30.85	2.8983	84.5	(0,2,1)
30.86	2.8973	39.8	(0,0,4)
31.07	2.8781	11.6	(1,1,1)
33.91	2.6439	39.8	(1,1,2)
34.39	2.6080	26.1	(0,1,4)
38.03	2.3662	17.0	(0,2,3)
38.21	2.3551	59.3	(1,1,3)
40.80	2.2117	100.0	(1,2,1)
40.81	2.2113	47.0	(1,0,4)
41.79	2.1615	1.7	(0,1,5)
43.63	2.0743	34.9	(1,1,4)
46.16	1.9667	2.1	(0,3,1)
46.67	1.9463	25.7	(1,2,3)
47.05	1.9316	5.9	(0,0,6)
48.23	1.8869	9.0	(0,3,2)
49.59	1.8383	4.6	(0,1,6)
49.75	1.8327	22.9	(0,2,5)
49.90	1.8275	2.8	(1,1,5)

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Energy Properties

Formation Energy/atom

-0.78241

eV/atom

Energy/atom

-13.50846

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.5085

eV/atom

Volume/atom

9.89

Å³

c/a Ratio

3.3864

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

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

0.6002

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

29.263%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3099

smaller = more stable mixing

VEC

4.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.667

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)

aaadnlrh aaadtfvf aaaetmxk aaafbtlw aaafzyaz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-973524

Reference Citation

The crystal structure and related material properties of HoVB4 were obtained from the Materials Project database (MP-ID: mp-973524, 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_HoVB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42231473
_cell_length_b   5.98681846
_cell_length_c   11.58931921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoVB4
_chemical_formula_sum   'Ho4 V4 B16'
_cell_volume   237.45097689
_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  0.12431769  0.65145279  1.0
  Ho  Ho1  1  0.50000000  0.87568231  0.34854721  1.0
  Ho  Ho2  1  0.50000000  0.62431769  0.84854721  1.0
  Ho  Ho3  1  0.50000000  0.37568231  0.15145279  1.0
  V  V4  1  0.50000000  0.12740001  0.91691927  1.0
  V  V5  1  0.50000000  0.87259999  0.08308073  1.0
  V  V6  1  0.50000000  0.62740001  0.58308073  1.0
  V  V7  1  0.50000000  0.37259999  0.41691927  1.0
  B  B8  1  0.00000000  0.47692576  0.69228137  1.0
  B  B9  1  -0.00000000  0.52307424  0.30771863  1.0
  B  B10  1  0.00000000  0.97692576  0.80771863  1.0
  B  B11  1  -0.00000000  0.02307424  0.19228137  1.0
  B  B12  1  0.00000000  0.28656777  0.81437788  1.0
  B  B13  1  -0.00000000  0.71343223  0.18562212  1.0
  B  B14  1  -0.00000000  0.78656777  0.68562212  1.0
  B  B15  1  -0.00000000  0.21343223  0.31437788  1.0
  B  B16  1  -0.00000000  0.36424567  0.96762116  1.0
  B  B17  1  0.00000000  0.63575433  0.03237884  1.0
  B  B18  1  -0.00000000  0.86424567  0.53237884  1.0
  B  B19  1  0.00000000  0.13575433  0.46762116  1.0
  B  B20  1  0.00000000  0.38499069  0.54761459  1.0
  B  B21  1  0.00000000  0.61500931  0.45238541  1.0
  B  B22  1  0.00000000  0.88499069  0.95238541  1.0
  B  B23  1  -0.00000000  0.11500931  0.04761459  1.0

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