HoCu5

Traditional Materials TRA

MP-ID: mp-30585 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

HoCu5

MP-ID

mp-30585

Elements

Sites

Density

9.2944

g/cm³

Volume

86.23

Å³

Cell a

4.9652

Cell b

4.9652

Cell c

4.0390

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
20.66	4.3000	1.2	(1,-1,0,0)
22.01	4.0390	8.9	(0,0,0,1)
30.36	2.9439	49.2	(1,-1,0,1)
30.36	2.9439	24.6	(1,0,-1,1)
36.18	2.4826	15.7	(1,-2,1,0)
36.18	2.4826	31.5	(2,-1,-1,0)
42.02	2.1500	17.4	(2,-2,0,0)
42.02	2.1500	17.4	(0,2,-2,0)
42.02	2.1500	17.4	(2,0,-2,0)
42.75	2.1150	50.0	(1,-2,1,1)
42.75	2.1150	100.0	(2,-1,-1,1)
44.88	2.0195	40.8	(0,0,0,2)
47.93	1.8979	3.1	(2,-2,0,1)
47.93	1.8979	3.1	(0,2,-2,1)
47.93	1.8979	3.1	(2,0,-2,1)
58.96	1.5666	7.5	(1,-2,1,2)
58.96	1.5666	15.0	(2,-1,-1,2)
61.50	1.5078	6.7	(2,-3,1,1)
61.50	1.5078	6.7	(3,-2,-1,1)
61.50	1.5078	6.7	(3,-1,-2,1)
63.17	1.4720	20.0	(2,-2,0,2)
63.17	1.4720	10.0	(2,0,-2,2)
65.08	1.4333	5.5	(3,-3,0,0)
65.08	1.4333	2.8	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

-0.20424

eV/atom

Energy/atom

-14.72346

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.7235

eV/atom

Volume/atom

14.37

Å³

c/a Ratio

0.8135

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

116.726

GPa

G_VRH

53.682

GPa

Young's Modulus E

139.639

GPa

Poisson Ratio ν

0.301

Pugh Ratio K/G

2.174

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

-3.566

Lame λ

80.938

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

Score

0.797

Family

Cu-based Alloy

Matrix Element

Cu · 0.833

Related Tasks

Related computation task IDs (5)

aaadmnuk aaadsxfs aaaemqdh aaaeuuor aaafdjbn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30585

Reference Citation

The crystal structure and related material properties of HoCu5 were obtained from the Materials Project database (MP-ID: mp-30585, 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_HoCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96516736
_cell_length_b   4.96517435
_cell_length_c   4.03897452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00004975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoCu5
_chemical_formula_sum   'Ho1 Cu5'
_cell_volume   86.23229056
_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  0.33333400  0.66666700  -0.00000000  1.0
  Cu  Cu2  1  0.66666600  0.33333300  0.00000000  1.0
  Cu  Cu3  1  0.50000000  -0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.50000000  1.0

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