Ho3Sc
Traditional Materials TRAMP-ID: mp-1184707 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ho3Sc
MP-ID
mp-1184707
Elements
2
Sites
8
Density
7.5667
g/cm³
Volume
236.90
ų
Cell a
7.0746
Å
Cell b
7.0746
Å
Cell c
5.4655
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.46 | 6.1268 | 6.3 | (1,0,-1,0) |
| 21.79 | 4.0785 | 23.2 | (1,0,-1,1) |
| 25.18 | 3.5373 | 9.9 | (2,-1,-1,0) |
| 29.15 | 3.0634 | 12.0 | (2,-2,0,0) |
| 29.15 | 3.0634 | 24.1 | (2,0,-2,0) |
| 32.77 | 2.7328 | 35.5 | (0,0,0,2) |
| 33.54 | 2.6723 | 50.0 | (2,-2,0,1) |
| 33.54 | 2.6723 | 100.0 | (2,0,-2,1) |
| 35.99 | 2.4958 | 1.5 | (1,0,-1,2) |
| 38.89 | 2.3157 | 1.8 | (3,-1,-2,0) |
| 41.77 | 2.1626 | 5.4 | (2,-1,-1,2) |
| 42.39 | 2.1322 | 6.4 | (3,-1,-2,1) |
| 44.36 | 2.0423 | 2.3 | (3,0,-3,0) |
| 44.42 | 2.0393 | 22.9 | (2,0,-2,2) |
| 51.68 | 1.7687 | 19.5 | (4,-2,-2,0) |
| 51.68 | 1.7687 | 9.7 | (2,2,-4,0) |
| 51.74 | 1.7667 | 1.7 | (3,-1,-2,2) |
| 52.40 | 1.7463 | 2.4 | (1,0,-1,3) |
| 56.23 | 1.6359 | 2.4 | (3,0,-3,2) |
| 56.73 | 1.6226 | 1.2 | (4,-3,-1,1) |
| 56.73 | 1.6226 | 2.5 | (4,-1,-3,1) |
| 58.99 | 1.5659 | 9.8 | (2,-2,0,3) |
| 58.99 | 1.5659 | 19.7 | (2,0,-2,3) |
| 60.44 | 1.5317 | 1.5 | (4,-4,0,0) |
Energy Properties
Formation Energy/atom
0.02433
eV/atom
Energy/atom
-27.48630
eV/atom
Energy above Hull
0.0243
eV/atom
Uncorrected Energy
-27.4863
eV/atom
Volume/atom
29.61
ų
c/a Ratio
0.7726
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0001
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.705
Family
Binary Alloy
Matrix Element
Ho · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184707
Reference Citation
The crystal structure and related material properties of Ho3Sc were obtained from the Materials Project database (MP-ID: mp-1184707, 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_Ho3Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07458515
_cell_length_b 7.07458515
_cell_length_c 5.46551961
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000928
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho3Sc
_chemical_formula_sum 'Ho6 Sc2'
_cell_volume 236.89942387
_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 0.16914133 0.33828365 0.25000000 1.0
Ho Ho1 1 0.66171635 0.83085867 0.25000000 1.0
Ho Ho2 1 0.16914133 0.83085867 0.25000000 1.0
Ho Ho3 1 0.83085867 0.66171635 0.75000000 1.0
Ho Ho4 1 0.33828365 0.16914133 0.75000000 1.0
Ho Ho5 1 0.83085867 0.16914133 0.75000000 1.0
Sc Sc6 1 0.33333300 0.66666700 0.75000000 1.0
Sc Sc7 1 0.66666700 0.33333300 0.25000000 1.0
