ScC
传统材料 TRAMP-ID: mp-1009751 · Space group: F-43m (#216)
Basic Information
Formula
ScC
MP-ID
mp-1009751
Elements
2
Sites
2
Density
2.8334
g/cm³
Volume
33.39
ų
Cell a
3.6143
Å
Cell b
3.6143
Å
Cell c
3.6143
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
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 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.29 | 2.9511 | 100.0 | (1,1,1) |
| 35.11 | 2.5557 | 26.9 | (1,1,0) |
| 50.50 | 1.8072 | 43.3 | (2,1,1) |
| 60.03 | 1.5412 | 34.8 | (2,2,1) |
| 63.00 | 1.4755 | 6.2 | (2,2,2) |
| 74.21 | 1.2779 | 5.9 | (2,2,0) |
| 82.21 | 1.1726 | 12.9 | (3,2,2) |
| 84.83 | 1.1430 | 7.5 | (3,2,1) |
Energy Properties
Formation Energy/atom
0.33874
eV/atom
Energy/atom
-10.33412
eV/atom
Energy above Hull
0.9216
eV/atom
Uncorrected Energy
-7.3051
eV/atom
Volume/atom
16.69
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.0002
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.029960
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sc · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Sc · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009751
Reference Citation
The crystal structure and related material properties of ScC were obtained from the Materials Project database (MP-ID: mp-1009751, 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_ScC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61431550
_cell_length_b 3.61431550
_cell_length_c 3.61431550
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScC
_chemical_formula_sum 'Sc1 C1'
_cell_volume 33.38590730
_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
C C1 1 0.25000000 0.25000000 0.25000000 1.0
