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B4C

Elasticity Data ELA

MP-ID: mp-1238815 · Space group: Cm (#8)

Basic Information

Formula
B4C
MP-ID
mp-1238815
Elements
2
Sites
15
Density
2.5419
g/cm³
Volume
108.29
ų
Cell a
5.0465
Å
Cell b
5.1948
Å
Cell c
5.1948
Å
α Angle
65.15
°
β Angle
66.05
°
γ Angle
66.05
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
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
19.64 4.5200 17.3 (0,1,0)
19.64 4.5200 17.3 (0,0,1)
20.08 4.4221 3.5 (1,0,0)
22.19 4.0067 63.8 (1,1,1)
23.19 3.8359 71.6 (0,1,1)
23.82 3.7351 46.8 (1,1,0)
23.82 3.7351 46.8 (1,0,1)
32.00 2.7970 13.9 (0,1,-1)
32.08 2.7898 18.9 (1,0,-1)
34.84 2.5752 60.6 (1,2,1)
34.84 2.5752 60.6 (1,1,2)
35.79 2.5087 64.4 (2,1,1)
37.73 2.3843 96.3 (1,-1,-1)
38.07 2.3638 100.0 (1,1,-1)
38.07 2.3638 100.0 (1,-1,1)
38.72 2.3258 1.2 (0,2,1)
38.72 2.3258 1.2 (0,1,2)
39.28 2.2935 2.7 (1,2,0)
39.28 2.2935 2.7 (1,0,2)
39.99 2.2548 3.6 (2,1,0)
39.99 2.2548 3.6 (2,0,1)
45.26 2.0033 1.3 (2,2,2)
50.28 1.8145 2.1 (1,-2,0)
50.28 1.8145 2.1 (1,0,-2)
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Energy Properties

Formation Energy/atom
-0.13057
eV/atom
Energy/atom
-7.99710
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-7.9971
eV/atom
Volume/atom
7.22
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
3.242
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
238.023
GPa
GVRH
184.835
GPa
Young's Modulus E
440.486
GPa
Poisson Ratio ν
0.192
Pugh Ratio K/G
1.288
Vickers Hardness Est.
28.520
GPa
Ductility
Ductile
Anisotropy
0.501
Lame λ
114.800
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
B · 0.800
Element Family
Metalloid-Nonmetal
Solute Fraction
0.200
Interstitial Fraction
1.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5010
Homogeneous Poisson ν
0.1920
Debye Temperature
1,448.5
K
Sound Velocity
9,405.5
m/s
Homogeneity
0.1920

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1238815
Reference Citation

The crystal structure and related material properties of B4C were obtained from the Materials Project database (MP-ID: mp-1238815, 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_B4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04646593
_cell_length_b   5.19479252
_cell_length_c   5.19477907
_cell_angle_alpha   65.15271732
_cell_angle_beta   66.04617268
_cell_angle_gamma   66.04606697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B4C
_chemical_formula_sum   'B12 C3'
_cell_volume   108.28781432
_cell_formula_units_Z   3
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
  B  B0  1  0.83739316  0.50818714  0.50832026  1.0
  B  B1  1  0.48467638  0.17578767  0.49794280  1.0
  B  B2  1  0.50469531  0.83109682  0.50613717  1.0
  B  B3  1  0.48467604  0.49781151  0.17591985  1.0
  B  B4  1  0.50469560  0.50600438  0.83122934  1.0
  B  B5  1  0.18075553  0.69337798  0.69350738  1.0
  B  B6  1  0.81175301  0.31002864  0.31016019  1.0
  B  B7  1  0.69481862  0.18808678  0.69702729  1.0
  B  B8  1  0.29914309  0.81754820  0.30396350  1.0
  B  B9  1  0.69481868  0.69689492  0.18821656  1.0
  B  B10  1  0.29914286  0.30383447  0.81767766  1.0
  B  B11  1  0.98897429  0.99947612  0.99960816  1.0
  C  C12  1  0.17505190  0.49695927  0.49709092  1.0
  C  C13  1  0.88191391  0.87574306  0.87587383  1.0
  C  C14  1  0.10357464  0.12051503  0.12064412  1.0
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