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Cr3C2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-570112 · Space group: Cmcm (#63)

Basic Information

Formula
Cr3C2
MP-ID
mp-570112
Elements
2
Sites
10
Density
6.7709
g/cm³
Volume
88.29
ų
Cell a
2.8106
Å
Cell b
4.8016
Å
Cell c
6.8421
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
107.02
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
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 24)
2θd (Å)Ihkl
19.33 4.5914 1.1 (0,1,0)
23.33 3.8125 1.3 (0,1,1)
26.05 3.4211 2.0 (0,0,2)
32.64 2.7433 1.3 (0,1,2)
33.34 2.6875 1.7 (1,-1,0)
35.90 2.5014 52.8 (1,-1,1)
39.24 2.2957 44.3 (0,2,0)
41.49 2.1765 13.8 (0,2,1)
42.79 2.1134 54.8 (1,-1,2)
43.73 2.0702 37.7 (1,-2,0)
44.35 2.0426 100.0 (0,1,3)
45.79 1.9815 49.9 (1,-2,1)
47.71 1.9063 1.1 (0,2,2)
51.60 1.7712 37.7 (1,-2,2)
52.63 1.7389 17.1 (1,-1,3)
53.58 1.7105 2.9 (0,0,4)
61.85 1.5000 7.6 (1,-3,1)
64.58 1.4430 10.3 (1,-1,4)
66.54 1.4053 17.5 (2,-1,0)
66.70 1.4023 13.4 (1,-3,2)
66.98 1.3970 11.7 (0,3,2)
71.55 1.3187 1.1 (1,-2,4)
74.42 1.2748 13.8 (1,-3,3)
74.69 1.2709 9.0 (0,3,3)
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Energy Properties

Formation Energy/atom
-0.06401
eV/atom
Energy/atom
-9.54824
eV/atom
Energy above Hull
0.0346
eV/atom
Uncorrected Energy
-12.9511
eV/atom
Volume/atom
8.83
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
309.637
GPa
GVRH
144.082
GPa
Young's Modulus E
374.204
GPa
Poisson Ratio ν
0.299
Pugh Ratio K/G
2.149
Vickers Hardness Est.
11.966
GPa
Ductility
Brittle
Anisotropy
0.337
Lame λ
213.582
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.400

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.854
Family
Binary Alloy
Matrix Element
Cr · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3370
Homogeneous Poisson ν
0.2990
Debye Temperature
741.9
K
Sound Velocity
5,151.7
m/s
Homogeneity
0.2990

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-570112
Reference Citation

The crystal structure and related material properties of Cr3C2 were obtained from the Materials Project database (MP-ID: mp-570112, 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_Cr3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81054521
_cell_length_b   4.80163199
_cell_length_c   6.84213668
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.01761047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3C2
_chemical_formula_sum   'Cr6 C4'
_cell_volume   88.29308173
_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
  Cr  Cr0  1  0.40083045  0.80166290  0.75000000  1.0
  Cr  Cr1  1  0.14312833  0.28625666  0.92950338  1.0
  Cr  Cr2  1  0.59916955  0.19833710  0.25000000  1.0
  Cr  Cr3  1  0.85687167  0.71374334  0.07049662  1.0
  Cr  Cr4  1  0.14312833  0.28625666  0.57049662  1.0
  Cr  Cr5  1  0.85687167  0.71374334  0.42950338  1.0
  C  C6  1  0.75583405  0.51166810  0.75000000  1.0
  C  C7  1  0.24416595  0.48833190  0.25000000  1.0
  C  C8  1  0.50000000  -0.00000000  0.00000000  1.0
  C  C9  1  0.50000000  -0.00000000  0.50000000  1.0
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