Basic Information
Formula
HoNiSn
MP-ID
mp-31176
Elements
3
Sites
12
Density
9.5334
g/cm³
Volume
238.51
ų
Cell a
4.4178
Å
Cell b
7.0643
Å
Cell c
7.6426
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.26 | 3.8248 | 9.3 | (1,0,1) |
| 23.28 | 3.8213 | 2.6 | (0,0,2) |
| 26.50 | 3.3634 | 5.7 | (1,1,1) |
| 26.52 | 3.3611 | 4.8 | (0,1,2) |
| 32.45 | 2.7588 | 6.8 | (1,2,0) |
| 33.50 | 2.6749 | 49.1 | (1,1,2) |
| 34.57 | 2.5949 | 100.0 | (1,2,1) |
| 34.58 | 2.5938 | 38.2 | (0,2,2) |
| 37.53 | 2.3965 | 12.7 | (0,1,3) |
| 40.07 | 2.2504 | 23.1 | (0,3,1) |
| 40.85 | 2.2089 | 38.1 | (2,0,0) |
| 40.89 | 2.2069 | 50.2 | (1,0,3) |
| 43.82 | 2.0662 | 2.3 | (0,2,3) |
| 48.65 | 1.8716 | 1.5 | (1,2,3) |
| 49.37 | 1.8459 | 2.0 | (2,1,2) |
| 49.96 | 1.8255 | 1.8 | (1,3,2) |
| 51.76 | 1.7661 | 5.1 | (0,4,0) |
| 52.95 | 1.7292 | 5.3 | (0,3,3) |
| 53.23 | 1.7207 | 2.0 | (0,4,1) |
| 53.87 | 1.7020 | 5.5 | (1,1,4) |
| 54.57 | 1.6817 | 20.8 | (2,2,2) |
| 54.61 | 1.6805 | 4.5 | (0,2,4) |
| 56.67 | 1.6242 | 7.7 | (2,1,3) |
| 57.48 | 1.6034 | 8.2 | (1,4,1) |
Energy Properties
Formation Energy/atom
-0.67654
eV/atom
Energy/atom
-5.47233
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.9096
eV/atom
Volume/atom
19.88
ų
c/a Ratio
1.7299
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
Elastic data not available
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
0.430
Family
Ho-rich Multi-Component
Matrix Element
Ho · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31176
Reference Citation
The crystal structure and related material properties of HoNiSn were obtained from the Materials Project database (MP-ID: mp-31176, 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_HoNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41781827
_cell_length_b 7.06425538
_cell_length_c 7.64254649
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoNiSn
_chemical_formula_sum 'Ho4 Ni4 Sn4'
_cell_volume 238.51314950
_cell_formula_units_Z 4
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 0.25000000 0.48684846 0.79924938 1.0
Ho Ho1 1 0.75000000 0.51315154 0.20074962 1.0
Ho Ho2 1 0.25000000 0.98684846 0.70075062 1.0
Ho Ho3 1 0.75000000 0.01315154 0.29925038 1.0
Ni Ni4 1 0.75000000 0.29623027 0.58742119 1.0
Ni Ni5 1 0.25000000 0.20376973 0.08742119 1.0
Ni Ni6 1 0.75000000 0.79623027 0.91257881 1.0
Ni Ni7 1 0.25000000 0.70376973 0.41257881 1.0
Sn Sn8 1 0.25000000 0.31235000 0.41492186 1.0
Sn Sn9 1 0.75000000 0.18765000 0.91492186 1.0
Sn Sn10 1 0.25000000 0.81235000 0.08507814 1.0
Sn Sn11 1 0.75000000 0.68765000 0.58507814 1.0
