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Hf10Al2Sn3Bi

High-Entropy Materials HEA

MP-ID: mp-3255175 · Space group: Fmm2 (#42)

Basic Information

Formula
Hf10Al2Sn3Bi
MP-ID
mp-3255175
Elements
4
Sites
16
Density
11.8389
g/cm³
Volume
337.18
ų
Cell a
5.5230
Å
Cell b
8.2844
Å
Cell c
8.2850
Å
α Angle
83.64
°
β Angle
70.57
°
γ Angle
70.60
°
Space Group
Fmm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.32 7.8139 7.9 (0,1,0)
11.33 7.8132 21.7 (0,0,1)
16.04 5.5259 2.0 (0,1,1)
16.04 5.5241 2.0 (0,1,-1)
22.76 3.9069 9.0 (0,2,0)
22.76 3.9066 1.5 (0,0,2)
25.49 3.4949 10.5 (0,2,1)
25.49 3.4947 10.6 (0,1,2)
25.49 3.4939 10.4 (0,2,-1)
25.50 3.4938 10.6 (0,1,-2)
32.40 2.7630 4.0 (0,2,2)
32.41 2.7620 4.0 (0,2,-2)
32.42 2.7615 100.0 (2,1,1)
33.42 2.6815 19.6 (1,-2,0)
33.42 2.6809 19.8 (1,-2,1)
33.42 2.6809 25.3 (1,0,-2)
33.43 2.6801 25.6 (1,1,-2)
33.45 2.6790 25.5 (1,0,3)
33.45 2.6788 25.6 (1,1,3)
33.45 2.6786 19.5 (1,3,0)
33.45 2.6785 19.4 (1,3,1)
34.43 2.6047 8.3 (2,0,1)
34.43 2.6046 33.9 (0,3,0)
34.44 2.6044 33.8 (0,0,3)
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Energy Properties

Formation Energy/atom
-0.41229
eV/atom
Energy/atom
-37.76974
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-37.7697
eV/atom
Volume/atom
21.07
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
0.0206
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000060
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hf · 0.625
Element Family
5d-TM
Solute Fraction
0.375
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0408
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6535
J/mol·K
Ω Parameter
0.7971
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
3.650%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2882
smaller = more stable mixing
VEC
3.938
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-19.668
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7508
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3255175
Reference Citation

The crystal structure and related material properties of Hf10Al2Sn3Bi were obtained from the Materials Project database (MP-ID: mp-3255175, database version v2026.09.28).

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_Hf10Al2Sn3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52297845
_cell_length_b   8.28436803
_cell_length_c   8.28498403
_cell_angle_alpha   83.63832385
_cell_angle_beta   70.57079614
_cell_angle_gamma   70.59692331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf10Al2Sn3Bi
_chemical_formula_sum   'Hf10 Al2 Sn3 Bi1'
_cell_volume   337.18372454
_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
  Hf  Hf0  1  0.07385439  0.13971904  0.71220090  1.0
  Hf  Hf1  1  0.92609698  0.85715160  0.29082782  1.0
  Hf  Hf2  1  0.79011625  0.28935135  0.13314501  1.0
  Hf  Hf3  1  0.42296985  0.28947902  0.86666327  1.0
  Hf  Hf4  1  0.21651039  0.70549934  0.85919199  1.0
  Hf  Hf5  1  0.57567537  0.70526570  0.14095028  1.0
  Hf  Hf6  1  0.71636756  0.85729992  0.70927903  1.0
  Hf  Hf7  1  0.28642129  0.13958120  0.28777043  1.0
  Hf  Hf8  1  0.24375451  0.50860292  0.50022587  1.0
  Hf  Hf9  1  0.74784788  0.50845005  0.49971014  1.0
  Al  Al10  1  0.25147877  0.99670396  0.00003763  1.0
  Al  Al11  1  0.75144363  0.99671190  0.00010253  1.0
  Sn  Sn12  1  0.16449286  0.49964368  0.17180116  1.0
  Sn  Sn13  1  0.83643064  0.49987461  0.82813042  1.0
  Sn  Sn14  1  0.33370496  0.83357946  0.50006960  1.0
  Bi  Bi15  1  0.66283265  0.17308623  0.49989391  1.0
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