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BeO

Elasticity Data ELA

MP-ID: mp-1778 · Space group: F-43m (#216)

Basic Information

Formula
BeO
MP-ID
mp-1778
Elements
2
Sites
2
Density
3.0336
g/cm³
Volume
13.69
ų
Cell a
2.6853
Å
Cell b
2.6853
Å
Cell c
2.6853
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
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 14)
2θd (Å)Ihkl
41.17 2.1925 100.0 (1,0,0)
41.17 2.1925 50.0 (1,1,1)
41.17 2.1925 50.0 (0,1,0)
47.91 1.8988 18.9 (1,0,1)
47.91 1.8988 9.4 (1,1,0)
70.09 1.3426 11.8 (1,1,2)
70.09 1.3426 11.8 (1,0,-1)
70.09 1.3426 35.3 (1,-1,0)
70.09 1.3426 11.8 (1,2,1)
84.64 1.1450 7.0 (1,0,2)
84.64 1.1450 7.0 (1,-1,-1)
84.64 1.1450 10.5 (2,0,1)
84.64 1.1450 10.5 (1,1,-1)
84.64 1.1450 7.0 (2,2,1)
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Energy Properties

Formation Energy/atom
-3.09588
eV/atom
Energy/atom
-7.43957
eV/atom
Energy above Hull
0.0070
eV/atom
Uncorrected Energy
-8.1518
eV/atom
Volume/atom
6.85
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
6.848
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
207.897
GPa
GVRH
153.975
GPa
Young's Modulus E
370.466
GPa
Poisson Ratio ν
0.203
Pugh Ratio K/G
1.350
Vickers Hardness Est.
23.799
GPa
Ductility
Ductile
Anisotropy
0.741
Lame λ
105.247
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.500
Element Family
Alkali-AlkEarth
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7410
Homogeneous Poisson ν
0.2030
Debye Temperature
1,733.3
K
Sound Velocity
7,867.8
m/s
Homogeneity
0.2030

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1778
Reference Citation

The crystal structure and related material properties of BeO were obtained from the Materials Project database (MP-ID: mp-1778, 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_BeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68524602
_cell_length_b   2.68524550
_cell_length_c   2.68524680
_cell_angle_alpha   59.99999627
_cell_angle_beta   60.00000269
_cell_angle_gamma   60.00000960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeO
_chemical_formula_sum   'Be1 O1'
_cell_volume   13.69106765
_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
  Be  Be0  1  -0.00000000  0.00000000  -0.00000000  1.0
  O  O1  1  0.25000000  0.25000000  0.25000000  1.0
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