Basic Information
Formula
HoCo3Cu2
MP-ID
mp-1018723
Elements
3
Sites
6
Density
9.2731
g/cm³
Volume
83.95
ų
Cell a
4.0679
Å
Cell b
4.8817
Å
Cell c
4.8817
Å
α Angle
60.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 23)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.01 | 4.2276 | 2.1 | (0,1,-1,0) |
| 21.85 | 4.0679 | 9.5 | (1,0,-1,0) |
| 30.50 | 2.9313 | 47.9 | (1,-1,0,0) |
| 36.82 | 2.4408 | 34.3 | (0,2,-2,1) |
| 42.78 | 2.1138 | 30.5 | (0,2,-2,0) |
| 43.23 | 2.0930 | 100.0 | (1,2,-3,1) |
| 44.55 | 2.0339 | 27.3 | (2,0,-2,0) |
| 48.54 | 1.8757 | 1.4 | (1,2,-3,0) |
| 48.54 | 1.8757 | 2.7 | (1,2,-3,2) |
| 59.13 | 1.5625 | 17.0 | (2,-2,0,-1) |
| 62.44 | 1.4873 | 12.5 | (1,3,-4,1) |
| 63.47 | 1.4656 | 6.1 | (2,-2,0,0) |
| 63.47 | 1.4656 | 12.1 | (2,0,-2,2) |
| 66.33 | 1.4092 | 5.9 | (0,3,-3,0) |
| 70.75 | 1.3316 | 21.7 | (1,3,-4,0) |
| 73.32 | 1.2912 | 3.9 | (3,-1,-2,0) |
| 78.35 | 1.2204 | 9.5 | (0,4,-4,2) |
| 78.35 | 1.2204 | 4.7 | (0,2,-2,4) |
| 81.14 | 1.1853 | 14.7 | (3,-1,-2,1) |
| 82.52 | 1.1689 | 1.7 | (1,4,-5,2) |
| 83.45 | 1.1584 | 6.3 | (2,3,-5,0) |
| 86.35 | 1.1267 | 3.5 | (1,4,-5,1) |
| 86.35 | 1.1267 | 1.8 | (1,3,-4,4) |
Energy Properties
Formation Energy/atom
-0.09816
eV/atom
Energy/atom
-5.79755
eV/atom
Energy above Hull
0.0502
eV/atom
Uncorrected Energy
-5.7976
eV/atom
Volume/atom
13.99
ų
c/a Ratio
1.2001
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.7185
μB
Mag. Ordering
FiM
Mag. Sites
4
Magnetization/Volume
0.044290
μB/ų
Elastic Properties
KVRH
135.084
GPa
GVRH
60.344
GPa
Young's Modulus E
157.569
GPa
Poisson Ratio ν
0.306
Pugh Ratio K/G
2.239
Vickers Hardness Est.
5.575
GPa
Ductility
Brittle
Anisotropy
0.147
Lame λ
94.855
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1470
Homogeneous Poisson ν
0.3060
Debye Temperature
407.0
K
Sound Velocity
2,851.4
m/s
Homogeneity
0.3060
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018723
Reference Citation
The crystal structure and related material properties of HoCo3Cu2 were obtained from the Materials Project database (MP-ID: mp-1018723, 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_HoCo3Cu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06787900
_cell_length_b 4.88165231
_cell_length_c 4.88165200
_cell_angle_alpha 60.00000209
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoCo3Cu2
_chemical_formula_sum 'Ho1 Co3 Cu2'
_cell_volume 83.95224755
_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
Co Co1 1 0.50000000 0.00000000 0.50000000 1.0
Co Co2 1 0.50000000 0.50000000 0.50000000 1.0
Co Co3 1 0.50000000 0.50000000 0.00000000 1.0
Cu Cu4 1 0.00000000 0.33333400 0.33333300 1.0
Cu Cu5 1 0.00000000 0.66666600 0.66666700 1.0
