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Tb2C

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-692 · Space group: R-3m (#166)

Basic Information

Formula
Tb2C
MP-ID
mp-692
Elements
2
Sites
3
Density
7.8367
g/cm³
Volume
69.90
ų
Cell a
6.5260
Å
Cell b
6.5260
Å
Cell c
6.5260
Å
α Angle
32.14
°
β Angle
32.14
°
γ Angle
32.14
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.32 6.1837 12.4 (1,1,1)
28.88 3.0918 32.0 (2,2,2)
30.15 2.9646 100.0 (1,1,0)
34.58 2.5937 76.2 (2,1,1)
37.61 2.3918 5.2 (2,2,1)
43.93 2.0612 3.7 (3,3,3)
44.82 2.0222 8.4 (3,2,2)
48.89 1.8630 7.7 (3,3,2)
48.89 1.8630 15.3 (3,2,3)
50.53 1.8064 27.7 (1,0,-1)
52.80 1.7339 2.3 (2,1,0)
57.78 1.5957 10.2 (4,3,3)
59.24 1.5597 4.4 (2,3,1)
59.24 1.5597 21.8 (3,2,1)
59.83 1.5459 2.8 (4,4,4)
59.97 1.5426 14.6 (2,0,0)
62.57 1.4845 6.6 (4,4,3)
62.68 1.4823 13.4 (2,2,0)
64.66 1.4415 1.1 (3,1,1)
69.15 1.3585 4.9 (4,3,2)
69.82 1.3472 1.5 (3,1,3)
72.85 1.2983 4.7 (5,4,4)
72.95 1.2968 6.9 (4,2,2)
77.12 1.2367 1.9 (5,5,5)
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Energy Properties

Formation Energy/atom
-0.41731
eV/atom
Energy/atom
-24.55068
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.5507
eV/atom
Volume/atom
23.30
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
0.3882
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.005550
μB/ų

Elastic Properties

KVRH
56.514
GPa
GVRH
23.825
GPa
Young's Modulus E
62.668
GPa
Poisson Ratio ν
0.315
Pugh Ratio K/G
2.372
Vickers Hardness Est.
1.653
GPa
Ductility
Brittle
Anisotropy
2.834
Lame λ
40.631
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.333

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.703
Family
Binary Alloy
Matrix Element
Tb · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.8340
Homogeneous Poisson ν
0.3150
Debye Temperature
613.6
K
Sound Velocity
1,951.4
m/s
Homogeneity
0.3150

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-692
Reference Citation

The crystal structure and related material properties of Tb2C were obtained from the Materials Project database (MP-ID: mp-692, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Tb2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52596099
_cell_length_b   6.52596114
_cell_length_c   6.52596103
_cell_angle_alpha   32.13821783
_cell_angle_beta   32.13821688
_cell_angle_gamma   32.13821614
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2C
_chemical_formula_sum   'Tb2 C1'
_cell_volume   69.89501605
_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
  Tb  Tb0  1  0.73948121  0.73948121  0.73948121  1.0
  Tb  Tb1  1  0.26051879  0.26051879  0.26051879  1.0
  C  C2  1  0.00000000  -0.00000000  -0.00000000  1.0
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