Ho2BeCoSi4

High-Entropy Materials HEA

MP-ID: mp-3249823 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho2BeCoSi4

MP-ID

mp-3249823

Elements

Sites

Density

6.7325

g/cm³

Volume

125.83

Å³

Cell a

8.4305

Cell b

8.4305

Cell c

3.9067

α Angle

90.00

β Angle

90.00

γ Angle

153.05

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
10.79	8.1985	6.5	(1,-1,0)
21.68	4.0993	30.6	(2,-2,0)
22.76	3.9067	1.9	(0,0,1)
23.28	3.8203	35.2	(1,0,0)
25.25	3.5268	53.8	(1,-1,1)
27.97	3.1900	5.1	(1,-2,0)
27.97	3.1900	5.1	(2,-1,0)
31.64	2.8281	13.3	(2,-2,1)
32.77	2.7328	10.3	(3,-3,0)
32.79	2.7314	47.9	(1,0,1)
35.66	2.5175	58.5	(3,-2,0)
36.36	2.4709	100.0	(2,-1,1)
40.27	2.2393	33.5	(3,-3,1)
42.73	2.1162	6.4	(3,-2,1)
44.19	2.0496	3.2	(4,-4,0)
46.22	1.9642	23.4	(1,1,0)
46.49	1.9534	23.0	(0,0,2)
50.27	1.8150	14.4	(4,-4,1)
51.06	1.7887	7.7	(4,-3,1)
51.60	1.7714	3.3	(1,-3,0)
51.60	1.7714	3.3	(3,-1,0)
51.85	1.7634	6.4	(2,-2,2)
52.62	1.7392	8.4	(1,0,2)
53.39	1.7160	14.7	(2,0,1)

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Energy Properties

Formation Energy/atom

-0.66944

eV/atom

Energy/atom

-15.47318

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.4732

eV/atom

Volume/atom

15.73

Å³

c/a Ratio

0.4634

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

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

1.1286

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.046%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2851

smaller = more stable mixing

VEC

6.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.128

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcxlf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249823

Reference Citation

The crystal structure and related material properties of Ho2BeCoSi4 were obtained from the Materials Project database (MP-ID: mp-3249823, 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_Ho2BeCoSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43053254
_cell_length_b   8.43053314
_cell_length_c   3.90671972
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   153.05370756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2BeCoSi4
_chemical_formula_sum   'Ho2 Be1 Co1 Si4'
_cell_volume   125.82564646
_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  0.10161260  0.89838740  0.25000000  1.0
  Ho  Ho1  1  0.88690232  0.11309768  0.75000000  1.0
  Be  Be2  1  0.33019174  0.66980826  0.25000000  1.0
  Co  Co3  1  0.68045125  0.31954875  0.75000000  1.0
  Si  Si4  1  0.24714871  0.75285129  0.75000000  1.0
  Si  Si5  1  0.74696496  0.25303504  0.25000000  1.0
  Si  Si6  1  0.54428032  0.45571968  0.75000000  1.0
  Si  Si7  1  0.46244809  0.53755191  0.25000000  1.0

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