Basic Information
Formula
Sc2MnC
MP-ID
mp-999257
Elements
3
Sites
4
Density
4.7519
g/cm³
Volume
54.81
ų
Cell a
4.2639
Å
Cell b
4.2639
Å
Cell c
4.2639
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
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 |
|---|---|---|---|
| 25.59 | 3.4814 | 22.7 | (1,1,1) |
| 29.63 | 3.0150 | 2.9 | (1,1,0) |
| 42.40 | 2.1319 | 100.0 | (2,1,1) |
| 50.18 | 1.8181 | 10.8 | (2,2,1) |
| 61.51 | 1.5075 | 14.6 | (2,2,0) |
| 67.74 | 1.3834 | 4.1 | (3,2,2) |
| 77.56 | 1.2309 | 27.8 | (3,3,2) |
| 83.26 | 1.1605 | 3.0 | (3,3,3) |
Energy Properties
Formation Energy/atom
0.44086
eV/atom
Energy/atom
-11.41603
eV/atom
Energy above Hull
0.8744
eV/atom
Uncorrected Energy
-7.2344
eV/atom
Volume/atom
13.70
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
0.5851
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.010670
μB/ų
Elastic Properties
KVRH
113.031
GPa
GVRH
46.178
GPa
Young's Modulus E
121.930
GPa
Poisson Ratio ν
0.320
Pugh Ratio K/G
2.448
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.195
Lame λ
82.246
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sc · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.250
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.309
Family
Interstitial Alloy
Matrix Element
Sc · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999257
Reference Citation
The crystal structure and related material properties of Sc2MnC were obtained from the Materials Project database (MP-ID: mp-999257, 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_Sc2MnC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26385389
_cell_length_b 4.26385389
_cell_length_c 4.26385389
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2MnC
_chemical_formula_sum 'Sc2 Mn1 C1'
_cell_volume 54.81405675
_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 0.75000000 0.75000000 0.75000000 1.0
Sc Sc1 1 0.25000000 0.25000000 0.25000000 1.0
Mn Mn2 1 0.50000000 0.50000000 0.50000000 1.0
C C3 1 0.00000000 0.00000000 0.00000000 1.0
