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CrC

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-579 · Space group: Fm-3m (#225)

Basic Information

Formula
CrC
MP-ID
mp-579
Elements
2
Sites
2
Density
6.1321
g/cm³
Volume
17.33
ų
Cell a
2.9049
Å
Cell b
2.9049
Å
Cell c
2.9049
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
Cubic F
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 5)
2θd (Å)Ihkl
37.94 2.3718 99.8 (1,1,1)
44.09 2.0541 100.0 (1,1,0)
64.12 1.4524 55.4 (2,1,1)
76.98 1.2386 32.4 (2,2,1)
81.09 1.1859 17.6 (2,2,2)
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Energy Properties

Formation Energy/atom
0.17261
eV/atom
Energy/atom
-9.26941
eV/atom
Energy above Hull
0.2548
eV/atom
Uncorrected Energy
-9.2694
eV/atom
Volume/atom
8.67
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
1.3961
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.080550
μB/ų

Elastic Properties

KVRH
110.843
GPa
GVRH
96.262
GPa
Young's Modulus E
223.955
GPa
Poisson Ratio ν
0.163
Pugh Ratio K/G
1.151
Vickers Hardness Est.
21.529
GPa
Ductility
Ductile
Anisotropy
1.095
Lame λ
46.668
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.664
Family
Binary Alloy
Matrix Element
Cr · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.0950
Homogeneous Poisson ν
0.1630
Debye Temperature
631.4
K
Sound Velocity
4,357.4
m/s
Homogeneity
0.1630

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-579
Reference Citation

The crystal structure and related material properties of CrC were obtained from the Materials Project database (MP-ID: mp-579, 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_CrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90486820
_cell_length_b   2.90486820
_cell_length_c   2.90486820
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrC
_chemical_formula_sum   'Cr1 C1'
_cell_volume   17.33262326
_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
  Cr  Cr0  1  0.50000000  0.50000000  0.50000000  1.0
  C  C1  1  0.00000000  0.00000000  0.00000000  1.0
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