B9C

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-633538 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

B9C

MP-ID

mp-633538

Elements

Sites

Density

2.4222

g/cm³

Volume

149.87

Å³

Cell a

4.3122

Cell b

4.8353

Cell c

7.3735

α Angle

85.24

β Angle

81.96

γ Angle

80.52

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.15	7.2873	5.0	(0,0,1)
18.64	4.7603	42.8	(0,1,0)
21.06	4.2181	12.9	(1,0,0)
21.66	4.1024	70.1	(0,1,1)
22.93	3.8778	6.0	(0,1,-1)
22.97	3.8725	100.0	(1,0,1)
24.43	3.6437	31.1	(0,0,2)
25.73	3.4631	60.8	(1,0,-1)
25.96	3.4324	25.7	(1,1,0)
29.95	2.9831	33.8	(0,1,2)
30.29	2.9511	49.3	(1,0,2)
30.39	2.9412	1.3	(1,1,-1)
30.42	2.9388	7.8	(1,-1,0)
31.83	2.8112	22.8	(0,1,-2)
32.25	2.7756	16.3	(1,-1,1)
33.09	2.7075	1.7	(1,1,2)
33.46	2.6781	63.9	(1,-1,-1)
34.53	2.5974	3.4	(1,0,-2)
37.01	2.4291	7.6	(0,0,3)
37.80	2.3801	31.4	(0,2,0)
38.35	2.3473	9.7	(1,-1,2)
38.62	2.3314	33.3	(1,1,-2)
39.08	2.3047	4.1	(0,2,1)
40.41	2.2320	9.8	(1,-1,-2)

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Energy Properties

Formation Energy/atom

0.29747

eV/atom

Energy/atom

-7.30898

eV/atom

Energy above Hull

0.3686

eV/atom

Uncorrected Energy

-6.6194

eV/atom

Volume/atom

7.49

Å³

c/a Ratio

1.7099

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

193.287

GPa

G_VRH

107.233

GPa

Young's Modulus E

271.492

GPa

Poisson Ratio ν

0.266

Pugh Ratio K/G

1.802

Vickers Hardness Est.

12.467

GPa

Ductility

Brittle

Anisotropy

1.429

Lame λ

121.798

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.900

Element Family

N/A

Solute Fraction

0.100

Interstitial Fraction

1.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.489

Family

Binary Alloy

Matrix Element

B · 0.900

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.4290

Homogeneous Poisson ν

0.2660

Debye Temperature

1,125.7

Sound Velocity

7,400.7

m/s

Homogeneity

0.2660

Related Tasks

Related computation task IDs (2)

aaacehbu aaaefmkf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-633538

Reference Citation

The crystal structure and related material properties of B9C were obtained from the Materials Project database (MP-ID: mp-633538, 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

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_B9C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31220800
_cell_length_b   4.83532462
_cell_length_c   7.37354147
_cell_angle_alpha   85.23847483
_cell_angle_beta   81.96218153
_cell_angle_gamma   80.51968771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B9C
_chemical_formula_sum   'B18 C2'
_cell_volume   149.87217013
_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
  B  B0  1  0.97631400  0.25196200  0.69077300  1.0
  B  B1  1  0.90863500  0.63895700  0.60736700  1.0
  B  B2  1  0.16994100  0.13013700  0.04482900  1.0
  B  B3  1  0.37730800  0.57103700  0.17670400  1.0
  B  B4  1  0.81021700  0.77058000  0.36336500  1.0
  B  B5  1  0.22269900  0.70175600  0.43215900  1.0
  B  B6  1  0.85070800  0.97415000  0.14106300  1.0
  B  B7  1  0.37598700  0.93194600  0.85523700  1.0
  B  B8  1  0.21621700  0.61828100  0.86430200  1.0
  B  B9  1  0.74817000  0.96002500  0.71843100  1.0
  B  B10  1  0.80534100  0.61828500  0.15418900  1.0
  B  B11  1  0.56465700  0.12576300  0.29058500  1.0
  B  B12  1  0.38572700  0.10712500  0.63108800  1.0
  B  B13  1  0.59924400  0.46803900  0.34641300  1.0
  B  B14  1  0.52724700  0.89354100  0.06136900  1.0
  B  B15  1  0.27256100  0.47306200  0.65665700  1.0
  B  B16  1  0.66344800  0.34923100  0.56780300  1.0
  B  B17  1  0.97441200  0.00315700  0.89233400  1.0
  C  C18  1  0.14167500  0.46155500  0.05784600  1.0
  C  C19  1  0.40949300  0.95141100  0.44748700  1.0

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