Basic Information
Formula
HoCuSn
MP-ID
mp-1018724
Elements
3
Sites
6
Density
8.9141
g/cm³
Volume
129.35
ų
Cell a
4.5231
Å
Cell b
4.5231
Å
Cell c
7.3008
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
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 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.70 | 3.9171 | 9.1 | (1,0,-1,0) |
| 25.81 | 3.4517 | 5.8 | (1,0,-1,1) |
| 33.56 | 2.6705 | 100.0 | (1,0,-1,2) |
| 39.86 | 2.2615 | 19.6 | (1,1,-2,0) |
| 39.86 | 2.2615 | 39.2 | (2,-1,-1,0) |
| 43.79 | 2.0671 | 1.6 | (1,0,-1,3) |
| 46.36 | 1.9586 | 1.4 | (2,0,-2,0) |
| 48.10 | 1.8917 | 1.2 | (2,0,-2,1) |
| 49.97 | 1.8252 | 10.2 | (0,0,0,4) |
| 53.06 | 1.7258 | 27.3 | (2,0,-2,2) |
| 55.55 | 1.6544 | 1.6 | (1,0,-1,4) |
| 65.75 | 1.4203 | 26.8 | (2,-1,-1,4) |
| 68.38 | 1.3720 | 8.5 | (2,1,-3,2) |
| 68.38 | 1.3720 | 17.0 | (3,-1,-2,2) |
| 72.37 | 1.3057 | 6.8 | (3,0,-3,0) |
| 72.37 | 1.3057 | 3.4 | (3,-3,0,0) |
| 83.12 | 1.1620 | 7.6 | (1,0,-1,6) |
| 85.96 | 1.1308 | 2.2 | (2,2,-4,0) |
| 85.96 | 1.1308 | 4.4 | (4,-2,-2,0) |
Energy Properties
Formation Energy/atom
-0.54483
eV/atom
Energy/atom
-4.78032
eV/atom
Energy above Hull
0.0464
eV/atom
Uncorrected Energy
-4.7803
eV/atom
Volume/atom
21.56
ų
c/a Ratio
1.6141
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
76.985
GPa
GVRH
46.616
GPa
Young's Modulus E
116.362
GPa
Poisson Ratio ν
0.248
Pugh Ratio K/G
1.651
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.360
Lame λ
45.908
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.399
Family
Ho-rich Multi-Component
Matrix Element
Ho · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018724
Reference Citation
The crystal structure and related material properties of HoCuSn were obtained from the Materials Project database (MP-ID: mp-1018724, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_HoCuSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52306955
_cell_length_b 4.52306955
_cell_length_c 7.30075700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999337
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoCuSn
_chemical_formula_sum 'Ho2 Cu2 Sn2'
_cell_volume 129.34959858
_cell_formula_units_Z 2
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 0.50000000 1.0
Ho Ho1 1 0.00000000 0.00000000 0.00000000 1.0
Cu Cu2 1 0.33333300 0.66666700 0.75000000 1.0
Cu Cu3 1 0.66666700 0.33333300 0.25000000 1.0
Sn Sn4 1 0.33333300 0.66666700 0.25000000 1.0
Sn Sn5 1 0.66666700 0.33333300 0.75000000 1.0
