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HoCu5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-580364 · Space group: F-43m (#216)

Basic Information

Formula
HoCu5
MP-ID
mp-580364
Elements
2
Sites
6
Density
9.6006
g/cm³
Volume
83.48
ų
Cell a
4.9057
Å
Cell b
4.9057
Å
Cell c
4.9057
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
No
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
22.19 4.0055 9.1 (1,1,1)
22.19 4.0055 9.1 (0,0,1)
22.19 4.0055 18.1 (1,0,0)
25.68 3.4689 39.1 (1,1,0)
36.64 2.4529 30.1 (1,1,2)
36.64 2.4529 60.1 (2,1,1)
36.64 2.4529 60.1 (1,0,-1)
36.64 2.4529 30.1 (1,-1,0)
43.25 2.0918 100.0 (2,2,1)
43.25 2.0918 66.7 (1,0,2)
43.25 2.0918 100.0 (1,1,-1)
43.25 2.0918 100.0 (2,0,1)
43.25 2.0918 33.3 (1,-1,1)
45.28 2.0028 25.8 (2,2,2)
45.28 2.0028 25.8 (0,0,2)
45.28 2.0028 51.6 (2,0,0)
57.94 1.5916 1.8 (1,1,3)
57.94 1.5916 2.7 (1,0,-2)
57.94 1.5916 1.8 (1,3,1)
59.60 1.5513 2.4 (2,1,3)
59.60 1.5513 1.2 (3,2,1)
59.60 1.5513 3.6 (3,1,2)
59.60 1.5513 4.8 (2,1,-1)
59.60 1.5513 2.4 (2,-1,1)
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Energy Properties

Formation Energy/atom
-0.18825
eV/atom
Energy/atom
-14.70747
eV/atom
Energy above Hull
0.0160
eV/atom
Uncorrected Energy
-14.7075
eV/atom
Volume/atom
13.91
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
104.747
GPa
GVRH
14.966
GPa
Young's Modulus E
42.857
GPa
Poisson Ratio ν
0.432
Pugh Ratio K/G
6.999
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.642
Lame λ
94.770
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.787
Family
Cu-based Alloy
Matrix Element
Cu · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6420
Homogeneous Poisson ν
0.4320
Debye Temperature
201.9
K
Sound Velocity
1,419.5
m/s
Homogeneity
0.4320

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-580364
Reference Citation

The crystal structure and related material properties of HoCu5 were obtained from the Materials Project database (MP-ID: mp-580364, 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_HoCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90572120
_cell_length_b   4.90572093
_cell_length_c   4.90572309
_cell_angle_alpha   59.99996487
_cell_angle_beta   59.99996669
_cell_angle_gamma   59.99994889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoCu5
_chemical_formula_sum   'Ho1 Cu5'
_cell_volume   83.48209551
_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
  Cu  Cu1  1  0.62395351  0.62395351  0.12814148  1.0
  Cu  Cu2  1  0.12814148  0.62395351  0.62395351  1.0
  Cu  Cu3  1  0.25000000  0.25000000  0.25000000  1.0
  Cu  Cu4  1  0.62395351  0.12814148  0.62395351  1.0
  Cu  Cu5  1  0.62395351  0.62395351  0.62395351  1.0
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