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HoTa5NbSn6

High-Entropy Materials HEA

MP-ID: mp-3252732 · Space group: Cmm2 (#35)

Basic Information

Formula
HoTa5NbSn6
MP-ID
mp-3252732
Elements
4
Sites
13
Density
11.3115
g/cm³
Volume
275.23
ų
Cell a
5.7533
Å
Cell b
5.7533
Å
Cell c
9.6048
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.04
°
Space Group
Cmm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
9.21 9.6048 8.6 (0,0,0,1)
17.80 4.9834 16.4 (1,-1,0,0)
17.81 4.9807 5.5 (1,0,-1,0)
18.48 4.8024 45.9 (0,0,0,2)
20.07 4.4234 2.9 (1,-1,0,1)
20.08 4.4216 5.8 (1,0,-1,1)
25.76 3.4580 8.6 (1,-1,0,2)
25.77 3.4571 1.2 (1,0,-1,2)
27.87 3.2016 11.4 (0,0,0,3)
31.09 2.8766 21.5 (1,-2,1,0)
31.09 2.8766 21.5 (2,-1,-1,0)
31.11 2.8751 11.6 (1,1,-2,0)
32.49 2.7557 1.8 (2,-1,-1,1)
33.26 2.6936 16.7 (1,-1,0,3)
33.27 2.6932 32.9 (1,0,-1,3)
36.05 2.4917 50.5 (2,-2,0,0)
36.07 2.4904 100.0 (2,0,-2,0)
36.41 2.4678 45.6 (1,-2,1,2)
36.41 2.4678 45.6 (2,-1,-1,2)
36.42 2.4668 66.8 (1,1,-2,2)
37.30 2.4106 1.4 (2,0,-2,1)
37.45 2.4012 82.4 (0,0,0,4)
40.80 2.2117 78.5 (2,-2,0,2)
40.82 2.2108 79.0 (0,2,-2,2)
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Energy Properties

Formation Energy/atom
-0.24476
eV/atom
Energy/atom
-34.78720
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.7872
eV/atom
Volume/atom
21.17
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

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
1.8219
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
4.955%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2537
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
9.413
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8072
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3252732
Reference Citation

The crystal structure and related material properties of HoTa5NbSn6 were obtained from the Materials Project database (MP-ID: mp-3252732, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_HoTa5NbSn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75326383
_cell_length_b   5.75326477
_cell_length_c   9.60481682
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.03550251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTa5NbSn6
_chemical_formula_sum   'Ho1 Ta5 Nb1 Sn6'
_cell_volume   275.22817529
_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  0.99964058  1.0
  Ta  Ta1  1  0.00000000  0.50000000  0.75120617  1.0
  Ta  Ta2  1  0.50000000  0.50000000  0.75108985  1.0
  Ta  Ta3  1  0.50000000  0.00000000  0.75120617  1.0
  Ta  Ta4  1  0.00000000  0.50000000  0.24913514  1.0
  Ta  Ta5  1  0.50000000  0.00000000  0.24913514  1.0
  Nb  Nb6  1  0.50000000  0.50000000  0.24912637  1.0
  Sn  Sn7  1  0.66717185  0.33282815  0.50031936  1.0
  Sn  Sn8  1  0.33282815  0.66717185  0.50031936  1.0
  Sn  Sn9  1  0.66680454  0.33319546  0.99991297  1.0
  Sn  Sn10  1  0.33319546  0.66680454  0.99991297  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.67263543  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.32635848  1.0
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