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Ta4C3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025192 · Space group: Pm-3m (#221)

Basic Information

Formula
Ta4C3
MP-ID
mp-1025192
Elements
2
Sites
7
Density
14.3636
g/cm³
Volume
87.84
ų
Cell a
4.4453
Å
Cell b
4.4453
Å
Cell c
4.4453
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 6)
2θd (Å)Ihkl
34.96 2.5665 100.0 (1,1,1)
40.59 2.2226 59.4 (2,0,0)
58.75 1.5716 40.0 (2,2,0)
70.23 1.3403 41.4 (3,1,1)
73.85 1.2832 13.6 (2,2,2)
87.85 1.1113 6.7 (4,0,0)
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Energy Properties

Formation Energy/atom
-0.53415
eV/atom
Energy/atom
-32.56401
eV/atom
Energy above Hull
0.1337
eV/atom
Uncorrected Energy
-11.1820
eV/atom
Volume/atom
12.55
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
292.905
GPa
GVRH
133.885
GPa
Young's Modulus E
348.549
GPa
Poisson Ratio ν
0.302
Pugh Ratio K/G
2.188
Vickers Hardness Est.
11.040
GPa
Ductility
Brittle
Anisotropy
0.142
Lame λ
203.648
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ta · 0.571
Element Family
N/A
Solute Fraction
0.429
Interstitial Fraction
0.429

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.564
Family
Binary Alloy
Matrix Element
Ta · 0.571

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1420
Homogeneous Poisson ν
0.3020
Debye Temperature
436.9
K
Sound Velocity
3,410.9
m/s
Homogeneity
0.3020

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1025192
Reference Citation

The crystal structure and related material properties of Ta4C3 were obtained from the Materials Project database (MP-ID: mp-1025192, 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_Ta4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44528100
_cell_length_b   4.44528100
_cell_length_c   4.44528100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4C3
_chemical_formula_sum   'Ta4 C3'
_cell_volume   87.84107819
_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
  Ta  Ta0  1  0.00000000  0.50000000  0.50000000  1.0
  Ta  Ta1  1  0.50000000  0.00000000  0.50000000  1.0
  Ta  Ta2  1  0.50000000  0.50000000  0.00000000  1.0
  Ta  Ta3  1  0.00000000  0.00000000  0.00000000  1.0
  C  C4  1  0.50000000  0.00000000  0.00000000  1.0
  C  C5  1  0.00000000  0.50000000  0.00000000  1.0
  C  C6  1  0.00000000  0.00000000  0.50000000  1.0
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