Sc
传统材料 TRAMP-ID: mp-1008681 · Space group: Pm-3m (#221)
Basic Information
Formula
Sc
MP-ID
mp-1008681
Elements
1
Sites
1
Density
2.8863
g/cm³
Volume
25.86
ų
Cell a
2.9593
Å
Cell b
2.9563
Å
Cell c
2.9563
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.20 | 2.9593 | 50.1 | (1,0,0) |
| 30.23 | 2.9563 | 100.0 | (0,1,0) |
| 43.26 | 2.0915 | 69.0 | (1,1,0) |
| 43.28 | 2.0904 | 34.5 | (0,1,1) |
| 53.68 | 1.7074 | 34.3 | (1,1,1) |
| 62.80 | 1.4797 | 5.1 | (2,0,0) |
| 62.87 | 1.4782 | 10.1 | (0,2,0) |
| 71.27 | 1.3232 | 13.5 | (2,1,0) |
| 71.32 | 1.3224 | 13.4 | (1,2,0) |
| 71.34 | 1.3221 | 13.4 | (0,2,1) |
| 79.33 | 1.2077 | 9.7 | (2,1,1) |
| 79.38 | 1.2071 | 19.4 | (1,2,1) |
Energy Properties
Formation Energy/atom
0.71945
eV/atom
Energy/atom
-10.67903
eV/atom
Energy above Hull
0.7195
eV/atom
Uncorrected Energy
-5.6130
eV/atom
Volume/atom
25.86
ų
c/a Ratio
0.9990
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.9461
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.036580
μB/ų
Elastic Properties
KVRH
36.883
GPa
GVRH
-43.139
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-0.855
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-4.942
Lame λ
65.642
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sc · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.373
Family
Pure Metal
Matrix Element
Sc · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008681
Reference Citation
The crystal structure and related material properties of Sc were obtained from the Materials Project database (MP-ID: mp-1008681, 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_Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95932910
_cell_length_b 2.95631508
_cell_length_c 2.95631508
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc
_chemical_formula_sum Sc1
_cell_volume 25.86394106
_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
Sc Sc0 1 0.00000000 -0.00000000 0.00000000 1.0
