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B8O

Elasticity Data ELA

MP-ID: mp-1228652 · Space group: Pm (#6)

Basic Information

Formula
B8O
MP-ID
mp-1228652
Elements
2
Sites
27
Density
2.5618
g/cm³
Volume
199.29
ų
Cell a
5.3054
Å
Cell b
5.1219
Å
Cell c
7.3408
Å
α Angle
87.54
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
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
12.07 7.3340 11.9 (0,0,1)
16.71 5.3054 5.7 (1,0,0)
17.33 5.1172 5.0 (0,1,0)
20.66 4.2986 19.2 (1,0,1)
20.74 4.2837 9.2 (0,1,1)
21.60 4.1146 89.9 (0,1,-1)
24.16 3.6831 16.6 (1,1,0)
24.27 3.6670 7.9 (0,0,2)
26.75 3.3329 4.4 (1,1,1)
27.43 3.2514 3.1 (1,1,-1)
29.35 3.0431 2.0 (0,1,2)
29.61 3.0166 2.9 (1,0,2)
30.60 2.9220 1.6 (0,1,-2)
33.79 2.6527 1.6 (2,0,0)
33.96 2.6397 3.2 (1,1,2)
35.06 2.5595 100.0 (1,1,-2)
35.07 2.5586 50.0 (0,2,0)
36.00 2.4945 2.1 (2,0,1)
37.73 2.3842 1.5 (0,2,-1)
38.22 2.3551 2.1 (2,1,0)
39.09 2.3046 1.2 (1,2,0)
39.98 2.2553 71.0 (2,1,1)
40.19 2.2436 35.2 (0,1,3)
41.52 2.1747 2.5 (1,2,-1)
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Energy Properties

Formation Energy/atom
-0.60368
eV/atom
Energy/atom
-7.09069
eV/atom
Energy above Hull
0.0227
eV/atom
Uncorrected Energy
-7.7627
eV/atom
Volume/atom
7.38
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
2.164
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
209.358
GPa
GVRH
186.929
GPa
Young's Modulus E
432.165
GPa
Poisson Ratio ν
0.156
Pugh Ratio K/G
1.120
Vickers Hardness Est.
34.358
GPa
Ductility
Ductile
Anisotropy
0.130
Lame λ
84.739
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
B · 0.889
Element Family
Metalloid-Nonmetal
Solute Fraction
0.111
Interstitial Fraction
0.889

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1300
Homogeneous Poisson ν
0.1560
Debye Temperature
1,518.6
K
Sound Velocity
9,387.6
m/s
Homogeneity
0.1560

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1228652
Reference Citation

The crystal structure and related material properties of B8O were obtained from the Materials Project database (MP-ID: mp-1228652, 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_B8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30538683
_cell_length_b   5.12191393
_cell_length_c   7.34077920
_cell_angle_alpha   87.54177743
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B8O
_chemical_formula_sum   'B24 O3'
_cell_volume   199.29282052
_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  -0.00000000  0.87758239  0.80028051  1.0
  B  B1  1  0.50000000  0.37554398  0.29562798  1.0
  B  B2  1  0.23512665  0.63237286  0.55914648  1.0
  B  B3  1  0.73938532  0.14663669  0.06449621  1.0
  B  B4  1  0.76487335  0.63237286  0.55914648  1.0
  B  B5  1  0.26061468  0.14663669  0.06449621  1.0
  B  B6  1  -0.00000000  0.14715400  0.21844401  1.0
  B  B7  1  0.50000000  0.61669763  0.70074113  1.0
  B  B8  1  0.77975889  0.35149349  0.42697495  1.0
  B  B9  1  0.26243607  0.86282184  0.94143025  1.0
  B  B10  1  0.22024111  0.35149349  0.42697495  1.0
  B  B11  1  0.73756393  0.86282184  0.94143025  1.0
  B  B12  1  -0.00000000  0.34253627  0.00308916  1.0
  B  B13  1  0.50000000  0.82754572  0.49824492  1.0
  B  B14  1  0.16619819  0.16995677  0.83348003  1.0
  B  B15  1  0.66898139  0.66403692  0.33064754  1.0
  B  B16  1  0.83380181  0.16995677  0.83348003  1.0
  B  B17  1  0.33101861  0.66403692  0.33064754  1.0
  B  B18  1  -0.00000000  0.67159940  0.00529367  1.0
  B  B19  1  0.50000000  0.15660629  0.49455416  1.0
  B  B20  1  0.83459818  0.84155025  0.17401046  1.0
  B  B21  1  0.33036715  0.32293483  0.66246402  1.0
  B  B22  1  0.16540182  0.84155025  0.17401046  1.0
  B  B23  1  0.66963285  0.32293483  0.66246402  1.0
  O  O24  1  0.50000000  0.74115661  0.88082084  1.0
  O  O25  1  -0.00000000  0.75346635  0.62185594  1.0
  O  O26  1  0.50000000  0.26250208  0.11774780  1.0
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