Basic Information
Formula
TbSc
MP-ID
mp-982596
Elements
2
Sites
2
Density
5.9203
g/cm³
Volume
57.18
ų
Cell a
3.5003
Å
Cell b
3.5004
Å
Cell c
5.3892
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 |
|---|---|---|---|
| 16.45 | 5.3892 | 100.0 | (0,0,0,1) |
| 29.46 | 3.0315 | 40.3 | (0,1,-1,0) |
| 29.47 | 3.0314 | 40.3 | (1,0,-1,0) |
| 29.47 | 3.0313 | 40.3 | (1,-1,0,0) |
| 33.25 | 2.6946 | 61.2 | (0,0,0,2) |
| 33.93 | 2.6422 | 47.9 | (0,1,-1,-1) |
| 33.93 | 2.6421 | 47.9 | (0,1,-1,1) |
| 33.93 | 2.6421 | 47.9 | (1,0,-1,1) |
| 33.93 | 2.6421 | 47.9 | (1,-1,0,1) |
| 33.93 | 2.6421 | 47.9 | (1,0,-1,-1) |
| 33.93 | 2.6420 | 47.9 | (1,-1,0,-1) |
| 45.01 | 2.0140 | 12.8 | (0,1,-1,-2) |
| 45.01 | 2.0140 | 12.8 | (1,0,-1,2) |
| 45.01 | 2.0140 | 12.8 | (1,-1,0,2) |
| 45.01 | 2.0140 | 12.8 | (0,1,-1,2) |
| 45.01 | 2.0139 | 12.8 | (1,0,-1,-2) |
| 45.01 | 2.0139 | 12.8 | (1,-1,0,-2) |
| 50.83 | 1.7964 | 6.0 | (0,0,0,3) |
| 52.27 | 1.7502 | 16.6 | (1,1,-2,0) |
| 52.27 | 1.7502 | 16.6 | (1,-2,1,0) |
| 52.27 | 1.7501 | 16.6 | (2,-1,-1,0) |
| 55.18 | 1.6647 | 4.7 | (1,1,-2,1) |
| 55.18 | 1.6646 | 4.7 | (1,1,-2,-1) |
| 55.18 | 1.6646 | 4.7 | (1,-2,1,1) |
Energy Properties
Formation Energy/atom
0.06901
eV/atom
Energy/atom
-21.24345
eV/atom
Energy above Hull
0.0690
eV/atom
Uncorrected Energy
-21.2434
eV/atom
Volume/atom
28.59
ų
c/a Ratio
1.5396
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
KVRH
45.098
GPa
GVRH
28.229
GPa
Young's Modulus E
70.067
GPa
Poisson Ratio ν
0.241
Pugh Ratio K/G
1.598
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.028
Lame λ
26.279
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.578
Family
Binary Alloy
Matrix Element
Tb · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-982596
Reference Citation
The crystal structure and related material properties of TbSc were obtained from the Materials Project database (MP-ID: mp-982596, 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_TbSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50028551
_cell_length_b 3.50036288
_cell_length_c 5.38917681
_cell_angle_alpha 90.00163248
_cell_angle_beta 89.99807183
_cell_angle_gamma 119.99721266
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbSc
_chemical_formula_sum 'Tb1 Sc1'
_cell_volume 57.18495726
_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
Tb Tb0 1 0.33332612 0.66671339 0.25004058 1.0
Sc Sc1 1 0.66667388 0.33328561 0.74996042 1.0
