Ho5Sn3P

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294061 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ho5Sn3P

MP-ID

mp-3294061

Elements

Sites

Density

8.5733

g/cm³

Volume

469.41

Å³

Cell a

8.9567

Cell b

8.9567

Cell c

6.7565

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
19.83	4.4784	1.5	(2,-1,-1,0)
22.93	3.8784	1.3	(2,0,-2,0)
26.38	3.3783	14.5	(0,0,0,2)
28.83	3.0973	16.5	(1,0,-1,2)
30.49	2.9318	9.5	(1,2,-3,0)
30.49	2.9318	19.1	(3,-1,-2,0)
33.22	2.6970	55.9	(1,1,-2,2)
33.22	2.6970	28.0	(2,-1,-1,2)
33.31	2.6895	100.0	(3,-1,-2,1)
34.69	2.5856	35.9	(3,0,-3,0)
35.23	2.5474	1.7	(0,2,-2,2)
35.23	2.5474	3.4	(2,0,-2,2)
40.28	2.2392	1.2	(2,2,-4,0)
42.00	2.1513	1.8	(4,-1,-3,0)
42.53	2.1255	4.1	(2,2,-4,1)
42.53	2.1255	2.1	(4,-2,-2,1)
44.18	2.0499	4.1	(3,1,-4,1)
44.18	2.0499	4.1	(4,-1,-3,1)
46.85	1.9392	1.9	(4,0,-4,0)
48.79	1.8664	13.0	(2,2,-4,2)
48.79	1.8664	6.5	(4,-2,-2,2)
51.14	1.7860	20.2	(2,1,-3,3)
51.14	1.7860	10.1	(3,-1,-2,3)
53.23	1.7208	5.6	(3,2,-5,1)

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Energy Properties

Formation Energy/atom

-1.09210

eV/atom

Energy/atom

-28.60847

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.6085

eV/atom

Volume/atom

26.08

Å³

c/a Ratio

0.7544

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

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

2.0528

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.974%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3969

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.428

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)

aaahfkwr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294061

Reference Citation

The crystal structure and related material properties of Ho5Sn3P were obtained from the Materials Project database (MP-ID: mp-3294061, 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_Ho5Sn3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95669176
_cell_length_b   8.95669289
_cell_length_c   6.75651627
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5Sn3P
_chemical_formula_sum   'Ho10 Sn6 P2'
_cell_volume   469.40618172
_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  0.76143628  0.76143628  0.75000000  1.0
  Ho  Ho5  1  0.23856372  1.00000000  0.75000000  1.0
  Ho  Ho6  1  1.00000000  0.23856372  0.75000000  1.0
  Ho  Ho7  1  0.23856372  0.23856372  0.25000000  1.0
  Ho  Ho8  1  0.76143628  0.00000000  0.25000000  1.0
  Ho  Ho9  1  0.00000000  0.76143628  0.25000000  1.0
  Sn  Sn10  1  0.40151945  0.40151945  0.75000000  1.0
  Sn  Sn11  1  0.59848055  1.00000000  0.75000000  1.0
  Sn  Sn12  1  1.00000000  0.59848055  0.75000000  1.0
  Sn  Sn13  1  0.59848055  0.59848055  0.25000000  1.0
  Sn  Sn14  1  0.40151945  0.00000000  0.25000000  1.0
  Sn  Sn15  1  0.00000000  0.40151945  0.25000000  1.0
  P  P16  1  0.00000000  0.00000000  0.00000000  1.0
  P  P17  1  0.00000000  0.00000000  0.50000000  1.0

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