HoTa5TiSn6

High-Entropy Materials HEA

MP-ID: mp-3249336 · Space group: Cmm2 (#35)

Materials Project API

Basic Information

Formula

HoTa5TiSn6

MP-ID

mp-3249336

Elements

Sites

Density

11.1127

g/cm³

Volume

273.42

Å³

Cell a

5.7290

Cell b

5.7387

Cell c

9.5976

α Angle

90.00

β Angle

90.00

γ Angle

119.94

Space Group

Cmm2

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
9.21	9.5976	18.5	(0,0,0,1)
17.84	4.9727	23.3	(0,1,-1,0)
17.87	4.9642	2.2	(1,0,-1,0)
18.49	4.7988	41.6	(0,0,0,2)
20.11	4.4153	7.0	(0,1,-1,1)
20.14	4.4093	6.7	(1,0,-1,1)
20.14	4.4093	6.7	(1,-1,0,1)
25.80	3.4531	13.9	(0,1,-1,2)
27.89	3.1992	13.3	(0,0,0,3)
31.17	2.8694	53.7	(1,1,-2,0)
31.23	2.8645	9.9	(2,-1,-1,0)
32.57	2.7491	2.2	(1,1,-2,1)
32.57	2.7491	2.2	(1,-2,1,1)
32.62	2.7448	2.0	(2,-1,-1,1)
33.30	2.6905	18.8	(0,1,-1,3)
33.32	2.6892	37.5	(1,0,-1,3)
36.13	2.4864	48.6	(0,2,-2,0)
36.19	2.4821	100.0	(2,0,-2,0)
36.48	2.4627	42.4	(1,1,-2,2)
36.48	2.4627	42.4	(1,-2,1,2)
36.53	2.4596	78.2	(2,-1,-1,2)
37.36	2.4069	1.6	(0,2,-2,1)
37.42	2.4031	3.2	(2,0,-2,1)
37.48	2.3994	85.6	(0,0,0,4)

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Energy Properties

Formation Energy/atom

-0.26500

eV/atom

Energy/atom

-33.90003

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.9000

eV/atom

Volume/atom

21.03

Å³

c/a Ratio

1.6753

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

Sn · 0.462

Element Family

PostTransition-Noble

Solute Fraction

0.538

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1190

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3031

J/mol·K

Ω Parameter

4.1498

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.924%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2560

smaller = more stable mixing

VEC

4.923

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.993

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8072

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcwsm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249336

Reference Citation

The crystal structure and related material properties of HoTa5TiSn6 were obtained from the Materials Project database (MP-ID: mp-3249336, 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_HoTa5TiSn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72896354
_cell_length_b   5.73874175
_cell_length_c   9.59764166
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.94364593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTa5TiSn6
_chemical_formula_sum   'Ho1 Ta5 Ti1 Sn6'
_cell_volume   273.42249443
_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  0.00000000  0.00000000  0.99850506  1.0
  Ta  Ta1  1  0.00000000  0.50000000  0.75147290  1.0
  Ta  Ta2  1  0.00000000  0.50000000  0.24950673  1.0
  Ta  Ta3  1  0.50000000  0.50000000  0.24950673  1.0
  Ta  Ta4  1  0.50000000  0.50000000  0.75147290  1.0
  Ta  Ta5  1  0.50000000  0.00000000  0.75046534  1.0
  Ti  Ti6  1  0.50000000  0.00000000  0.24908893  1.0
  Sn  Sn7  1  0.00000000  0.00000000  0.67483480  1.0
  Sn  Sn8  1  0.33430540  0.66861179  0.49971688  1.0
  Sn  Sn9  1  0.66528822  0.33057643  0.00155518  1.0
  Sn  Sn10  1  0.33471178  0.66942357  0.00155518  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.32260047  1.0
  Sn  Sn12  1  0.66569460  0.33138821  0.49971688  1.0

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