Basic Information
Formula
TcC
MP-ID
mp-1009848
Elements
2
Sites
2
Density
7.3464
g/cm³
Volume
24.87
ų
Cell a
3.2762
Å
Cell b
3.2762
Å
Cell c
3.2762
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 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 33.50 | 2.6750 | 100.0 | (1,1,1) |
| 38.87 | 2.3167 | 39.6 | (1,1,0) |
| 56.15 | 1.6381 | 38.5 | (2,1,1) |
| 66.99 | 1.3970 | 38.0 | (2,2,1) |
| 70.39 | 1.3375 | 9.2 | (2,2,2) |
| 83.45 | 1.1583 | 5.9 | (2,2,0) |
Energy Properties
Formation Energy/atom
0.55805
eV/atom
Energy/atom
-17.39790
eV/atom
Energy above Hull
0.5581
eV/atom
Uncorrected Energy
-9.2366
eV/atom
Volume/atom
12.43
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
1.0003
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.040230
μB/ų
Elastic Properties
KVRH
239.569
GPa
GVRH
47.813
GPa
Young's Modulus E
134.492
GPa
Poisson Ratio ν
0.406
Pugh Ratio K/G
5.011
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.003
Lame λ
207.694
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tc · 0.500
Element Family
4d-TM
Solute Fraction
0.500
Interstitial Fraction
0.500
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0030
Homogeneous Poisson ν
0.4060
Debye Temperature
777.0
K
Sound Velocity
2,890.5
m/s
Homogeneity
0.4060
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009848
Reference Citation
The crystal structure and related material properties of TcC were obtained from the Materials Project database (MP-ID: mp-1009848, 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_TcC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27623785
_cell_length_b 3.27623785
_cell_length_c 3.27623785
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcC
_chemical_formula_sum 'Tc1 C1'
_cell_volume 24.86630590
_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
Tc Tc0 1 0.00000000 0.00000000 0.00000000 1.0
C C1 1 0.25000000 0.25000000 0.25000000 1.0
