Ho2Si5Os3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296960 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Ho2Si5Os3

MP-ID

mp-3296960

Elements

Sites

Density

10.5428

g/cm³

Volume

327.92

Å³

Cell a

8.0815

Cell b

8.0815

Cell c

5.7629

α Angle

70.63

β Angle

70.63

γ Angle

94.13

Space Group

C2/c

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
14.97	5.9167	5.8	(1,-1,0)
17.13	5.1775	1.9	(0,1,1)
17.13	5.1775	1.9	(1,0,1)
18.45	4.8085	1.8	(1,1,0)
23.72	3.7515	5.8	(0,2,1)
23.72	3.7515	5.8	(2,0,1)
23.85	3.7316	15.1	(2,0,0)
23.85	3.7316	15.1	(0,2,0)
24.39	3.6494	95.5	(2,-1,0)
24.39	3.6494	95.5	(1,-2,0)
24.79	3.5915	29.2	(1,0,-1)
24.79	3.5915	29.2	(0,1,-1)
25.76	3.4590	13.2	(1,2,1)
25.76	3.4590	13.2	(2,1,1)
28.85	3.0942	24.4	(2,1,0)
28.85	3.0942	24.4	(1,2,0)
30.21	2.9583	64.3	(2,-2,0)
31.06	2.8789	62.8	(1,1,2)
32.87	2.7251	2.2	(2,-1,-1)
32.87	2.7251	2.2	(1,-2,1)
32.98	2.7158	17.3	(0,1,2)
32.98	2.7158	17.3	(1,0,2)
33.73	2.6572	43.2	(1,2,2)
33.73	2.6572	43.2	(2,1,2)

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Energy Properties

Formation Energy/atom

-0.79026

eV/atom

Energy/atom

-27.64898

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.6490

eV/atom

Volume/atom

16.40

Å³

c/a Ratio

0.7131

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

1.0297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5605

J/mol·K

Ω Parameter

10.3210

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.367%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3389

smaller = more stable mixing

VEC

6.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.810

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9372

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.480

Family

Interstitial Alloy

Matrix Element

Si · 0.500

Related Tasks

Related computation task IDs (1)

aaahfpee

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296960

Reference Citation

The crystal structure and related material properties of Ho2Si5Os3 were obtained from the Materials Project database (MP-ID: mp-3296960, 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_Ho2Si5Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08150855
_cell_length_b   8.08151449
_cell_length_c   5.76290738
_cell_angle_alpha   70.63371977
_cell_angle_beta   70.63406038
_cell_angle_gamma   94.12980105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Si5Os3
_chemical_formula_sum   'Ho4 Si10 Os6'
_cell_volume   327.91651968
_cell_formula_units_Z   2
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  0.86838208  0.60121129  0.75382716  1.0
  Ho  Ho1  1  0.39878861  0.13161682  0.74617106  1.0
  Ho  Ho2  1  0.13161792  0.39878871  0.24617284  1.0
  Ho  Ho3  1  0.60121139  0.86838318  0.25382894  1.0
  Si  Si4  1  0.06698626  0.26133066  0.83361651  1.0
  Si  Si5  1  0.73866840  0.93301356  0.66638602  1.0
  Si  Si6  1  0.93301374  0.73866934  0.16638349  1.0
  Si  Si7  1  0.26133160  0.06698644  0.33361398  1.0
  Si  Si8  1  0.20700927  0.79299247  0.74999617  1.0
  Si  Si9  1  0.79299073  0.20700753  0.25000383  1.0
  Si  Si10  1  0.51222769  0.48777136  0.74999986  1.0
  Si  Si11  1  0.48777231  0.51222864  0.25000014  1.0
  Si  Si12  1  0.77397029  0.22602878  0.75000020  1.0
  Si  Si13  1  0.22602971  0.77397122  0.24999980  1.0
  Os  Os14  1  0.25504030  0.54332817  0.63130475  1.0
  Os  Os15  1  0.45666776  0.74495703  0.86869621  1.0
  Os  Os16  1  0.74495970  0.45667183  0.36869525  1.0
  Os  Os17  1  0.54333224  0.25504297  0.13130379  1.0
  Os  Os18  1  0.00313270  0.99686555  0.75000081  1.0
  Os  Os19  1  0.99686730  0.00313445  0.24999919  1.0

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