ScC
Traditional Materials TRAMP-ID: mp-999203 · Space group: P6_3/mmc (#194)
Basic Information
Formula
ScC
MP-ID
mp-999203
Elements
2
Sites
4
Density
3.5452
g/cm³
Volume
53.36
ų
Cell a
3.2169
Å
Cell b
3.2169
Å
Cell c
5.9546
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 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.01 | 2.9773 | 24.7 | (0,0,0,2) |
| 32.13 | 2.7859 | 83.9 | (1,0,-1,0) |
| 35.58 | 2.5234 | 6.8 | (1,0,-1,1) |
| 44.54 | 2.0342 | 100.0 | (1,0,-1,2) |
| 56.97 | 1.6165 | 1.1 | (1,0,-1,3) |
| 57.28 | 1.6085 | 25.6 | (2,-1,-1,0) |
| 62.38 | 1.4886 | 6.4 | (0,0,0,4) |
| 66.02 | 1.4151 | 14.6 | (2,-1,-1,2) |
| 67.21 | 1.3930 | 2.9 | (2,-2,0,0) |
| 67.21 | 1.3930 | 5.7 | (2,0,-2,0) |
| 71.91 | 1.3130 | 13.9 | (1,0,-1,4) |
| 75.33 | 1.2617 | 17.5 | (2,0,-2,2) |
| 89.76 | 1.0925 | 13.1 | (2,-1,-1,4) |
Energy Properties
Formation Energy/atom
0.01713
eV/atom
Energy/atom
-10.65573
eV/atom
Energy above Hull
0.6000
eV/atom
Uncorrected Energy
-7.6267
eV/atom
Volume/atom
13.34
ų
c/a Ratio
1.8510
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1186
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.002220
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sc · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
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-999203
Reference Citation
The crystal structure and related material properties of ScC were obtained from the Materials Project database (MP-ID: mp-999203, 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 3.21690213
_cell_length_b 3.21690213
_cell_length_c 5.95455200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000261
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScC
_chemical_formula_sum 'Sc2 C2'
_cell_volume 53.36486415
_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
Sc Sc0 1 0.00000000 0.00000000 0.50000000 1.0
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1.0
C C2 1 0.33333300 0.66666700 0.25000000 1.0
C C3 1 0.66666700 0.33333300 0.75000000 1.0
