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NaC

Elasticity Data ELA

MP-ID: mp-11180 · Space group: Immm (#71)

Basic Information

Formula
NaC
MP-ID
mp-11180
Elements
2
Sites
4
Density
1.6063
g/cm³
Volume
72.36
ų
Cell a
4.1764
Å
Cell b
4.6808
Å
Cell c
4.6808
Å
α Angle
70.97
°
β Angle
63.50
°
γ Angle
63.50
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
21.48 4.1361 17.4 (0,1,0)
25.50 3.4938 25.4 (1,1,1)
26.92 3.3115 34.6 (1,1,0)
27.98 3.1884 10.5 (0,1,1)
32.96 2.7172 26.6 (0,1,-1)
39.22 2.2968 100.0 (1,2,1)
43.33 2.0882 21.1 (2,1,1)
43.77 2.0681 19.2 (0,2,0)
45.84 1.9795 2.7 (0,2,1)
48.03 1.8944 1.3 (1,2,2)
48.86 1.8641 1.8 (2,2,1)
52.38 1.7469 4.7 (2,2,2)
55.28 1.6619 14.4 (1,2,-1)
55.50 1.6557 10.5 (2,2,0)
57.84 1.5942 7.7 (0,2,2)
63.08 1.4737 7.9 (1,3,0)
63.29 1.4694 11.4 (2,3,1)
64.91 1.4366 1.4 (2,3,2)
64.92 1.4364 6.1 (1,3,2)
68.20 1.3750 5.0 (0,3,1)
69.73 1.3486 2.4 (3,2,1)
74.95 1.2671 6.1 (2,3,3)
76.17 1.2499 5.8 (0,3,-1)
76.73 1.2421 10.0 (3,3,2)
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Energy Properties

Formation Energy/atom
0.23159
eV/atom
Energy/atom
-6.52412
eV/atom
Energy above Hull
0.2316
eV/atom
Uncorrected Energy
-5.0440
eV/atom
Volume/atom
18.09
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
3.492
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
28.546
GPa
GVRH
15.367
GPa
Young's Modulus E
39.087
GPa
Poisson Ratio ν
0.272
Pugh Ratio K/G
1.858
Vickers Hardness Est.
1.792
GPa
Ductility
Brittle
Anisotropy
1.848
Lame λ
18.301
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Na · 0.500
Element Family
Alkali-AlkEarth
Solute Fraction
0.500
Interstitial Fraction
0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.8480
Homogeneous Poisson ν
0.2720
Debye Temperature
390.3
K
Sound Velocity
3,442.7
m/s
Homogeneity
0.2720

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-11180
Reference Citation

The crystal structure and related material properties of NaC were obtained from the Materials Project database (MP-ID: mp-11180, 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_NaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17640200
_cell_length_b   4.68075370
_cell_length_c   4.68075370
_cell_angle_alpha   70.97214120
_cell_angle_beta   63.50466491
_cell_angle_gamma   63.50466491
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaC
_chemical_formula_sum   'Na2 C2'
_cell_volume   72.36398887
_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
  Na  Na0  1  0.75502500  0.24497500  0.24497500  1.0
  Na  Na1  1  0.24497500  0.75502500  0.75502500  1.0
  C  C2  1  0.00000000  0.61629300  0.38370700  1.0
  C  C3  1  0.00000000  0.38370700  0.61629300  1.0
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