Ho5SiSn3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296709 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ho5SiSn3

MP-ID

mp-3296709

Elements

Sites

Density

8.6408

g/cm³

Volume

464.63

Å³

Cell a

9.1254

Cell b

9.1254

Cell c

6.4427

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
11.20	7.9029	2.3	(1,0,-1,0)
22.50	3.9514	4.4	(2,0,-2,0)
23.90	3.7235	1.9	(2,-1,-1,1)
27.69	3.2214	15.1	(0,0,0,2)
29.91	2.9870	28.5	(3,-1,-2,0)
29.95	2.9831	15.0	(1,0,-1,2)
33.06	2.7099	69.5	(2,1,-3,1)
33.06	2.7099	34.7	(3,-1,-2,1)
34.03	2.6343	40.7	(3,-3,0,0)
34.03	2.6343	20.4	(3,0,-3,0)
34.07	2.6316	100.0	(2,-1,-1,2)
35.97	2.4968	4.1	(2,0,-2,2)
39.50	2.2814	1.3	(4,-2,-2,0)
41.19	2.1919	1.9	(4,-1,-3,0)
42.01	2.1505	1.2	(2,-4,2,1)
42.01	2.1505	2.3	(4,-2,-2,1)
43.62	2.0751	6.6	(3,-4,1,1)
43.62	2.0751	6.6	(4,-1,-3,1)
45.93	1.9757	1.0	(0,4,-4,0)
45.93	1.9757	2.0	(4,0,-4,0)
48.92	1.8618	8.5	(2,-4,2,2)
48.92	1.8618	16.9	(4,-2,-2,2)
50.35	1.8122	1.6	(3,-4,1,2)
50.35	1.8122	1.6	(4,-1,-3,2)

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Energy Properties

Formation Energy/atom

-0.84568

eV/atom

Energy/atom

-28.33669

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.3367

eV/atom

Volume/atom

25.81

Å³

c/a Ratio

0.7060

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2826

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000610

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

8.8261

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.770%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3557

smaller = more stable mixing

VEC

7.889

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.164

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.563

Family

Interstitial Alloy

Matrix Element

Ho · 0.556

Related Tasks

Related computation task IDs (1)

aaahfoun

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296709

Reference Citation

The crystal structure and related material properties of Ho5SiSn3 were obtained from the Materials Project database (MP-ID: mp-3296709, 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_Ho5SiSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12542154
_cell_length_b   9.12542269
_cell_length_c   6.44271711
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5SiSn3
_chemical_formula_sum   'Ho10 Si2 Sn6'
_cell_volume   464.62826119
_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  0.66666700  0.33333300  0.00000000  1.0
  Ho  Ho1  1  0.33333300  0.66666700  0.00000000  1.0
  Ho  Ho2  1  0.33333300  0.66666700  0.50000000  1.0
  Ho  Ho3  1  0.66666700  0.33333300  0.50000000  1.0
  Ho  Ho4  1  0.74817590  0.74817590  0.75000000  1.0
  Ho  Ho5  1  0.25182410  1.00000000  0.75000000  1.0
  Ho  Ho6  1  0.00000000  0.25182410  0.75000000  1.0
  Ho  Ho7  1  0.25182410  0.25182410  0.25000000  1.0
  Ho  Ho8  1  0.74817590  0.00000000  0.25000000  1.0
  Ho  Ho9  1  1.00000000  0.74817590  0.25000000  1.0
  Si  Si10  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si11  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn12  1  0.39299818  0.39299818  0.75000000  1.0
  Sn  Sn13  1  0.60700182  1.00000000  0.75000000  1.0
  Sn  Sn14  1  0.00000000  0.60700182  0.75000000  1.0
  Sn  Sn15  1  0.60700182  0.60700182  0.25000000  1.0
  Sn  Sn16  1  0.39299818  0.00000000  0.25000000  1.0
  Sn  Sn17  1  1.00000000  0.39299818  0.25000000  1.0

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