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Ho3(CuSn)4

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1101850 · Space group: Immm (#71)

Basic Information

Formula
Ho3(CuSn)4
MP-ID
mp-1101850
Elements
3
Sites
11
Density
9.1196
g/cm³
Volume
222.84
ų
Cell a
8.3672
Å
Cell b
8.3672
Å
Cell c
8.3672
Å
α Angle
149.36
°
β Angle
131.22
°
γ Angle
58.71
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
20.99 4.2316 1.1 (1,0,-1)
22.36 3.9763 2.5 (1,2,-2)
24.41 3.6464 1.8 (2,2,-2)
25.78 3.4552 9.8 (1,-1,1)
26.88 3.3170 3.1 (2,0,-1)
27.26 3.2712 6.5 (2,1,-2)
28.59 3.1225 4.4 (0,2,-2)
33.34 2.6875 28.4 (2,3,-3)
33.48 2.6764 100.0 (2,-1,0)
34.42 2.6056 99.2 (3,1,-2)
35.80 2.5081 1.2 (1,3,-3)
36.92 2.4350 3.4 (3,2,-3)
36.98 2.4309 17.0 (3,3,-3)
37.87 2.3755 7.4 (3,0,-1)
40.82 2.2109 42.7 (1,-1,-1)
43.47 2.0817 23.1 (0,3,-3)
45.47 1.9949 6.6 (3,4,-4)
45.58 1.9904 21.8 (4,1,-2)
45.63 1.9882 2.0 (2,4,-4)
46.14 1.9672 10.0 (1,-3,2)
48.91 1.8623 3.6 (2,-2,0)
50.03 1.8232 3.8 (4,4,-4)
50.48 1.8078 10.4 (1,4,-4)
50.59 1.8044 2.0 (3,-1,-1)
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Energy Properties

Formation Energy/atom
-0.49407
eV/atom
Energy/atom
-4.69662
eV/atom
Energy above Hull
0.0008
eV/atom
Uncorrected Energy
-22.4614
eV/atom
Volume/atom
20.26
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
82.772
GPa
GVRH
121.332
GPa
Young's Modulus E
244.519
GPa
Poisson Ratio ν
0.008
Pugh Ratio K/G
0.682
Vickers Hardness Est.
48.818
GPa
Ductility
Ductile
Anisotropy
-4.094
Lame λ
1.884
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.364
Element Family
3d-TM
Solute Fraction
0.636
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0901
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.0628
J/mol·K
Ω Parameter
2.4639
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.471%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3128
smaller = more stable mixing
VEC
8.455
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.231
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9922
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.573
Family
Cu-rich Multi-Component
Matrix Element
Cu · 0.364

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
-4.0940
Homogeneous Poisson ν
0.0080
Debye Temperature
513.5
K
Sound Velocity
3,957.2
m/s
Homogeneity
0.0080

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1101850
Reference Citation

The crystal structure and related material properties of Ho3(CuSn)4 were obtained from the Materials Project database (MP-ID: mp-1101850, 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_Ho3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36723426
_cell_length_b   8.36723426
_cell_length_c   8.36723426
_cell_angle_alpha   149.35774702
_cell_angle_beta   131.21968697
_cell_angle_gamma   58.71372923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3(CuSn)4
_chemical_formula_sum   'Ho3 Cu4 Sn4'
_cell_volume   222.83833421
_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  0.00000000  1.0
  Ho  Ho1  1  0.36852984  0.86852984  0.50000000  1.0
  Ho  Ho2  1  0.63147016  0.13147016  0.50000000  1.0
  Cu  Cu3  1  0.64001166  0.32869985  0.31131181  1.0
  Cu  Cu4  1  0.01738804  0.32869985  0.68868819  1.0
  Cu  Cu5  1  0.35998834  0.67130015  0.68868819  1.0
  Cu  Cu6  1  0.98261196  0.67130015  0.31131181  1.0
  Sn  Sn7  1  0.21602421  0.21602421  0.00000000  1.0
  Sn  Sn8  1  0.78397579  0.78397579  0.00000000  1.0
  Sn  Sn9  1  0.70296007  0.50000000  0.20296007  1.0
  Sn  Sn10  1  0.29703993  0.50000000  0.79703993  1.0
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