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HEAS Data Platform · Materials Science Database

K2O

Elasticity Data ELA

MP-ID: mp-971 · Space group: Fm-3m (#225)

Basic Information

Formula
K2O
MP-ID
mp-971
Elements
2
Sites
6
Density
2.4138
g/cm³
Volume
129.60
ų
Cell a
6.3750
Å
Cell b
4.5157
Å
Cell c
4.5020
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
24.15 3.6849 6.8 (1,1,0)
24.20 3.6775 6.7 (1,0,1)
27.99 3.1882 62.4 (0,1,1)
27.99 3.1875 31.2 (2,0,0)
39.93 2.2578 25.1 (0,2,0)
40.00 2.2542 100.0 (2,1,1)
40.06 2.2510 24.9 (0,0,2)
47.24 1.9241 1.5 (1,2,1)
47.32 1.9209 1.5 (1,1,2)
49.47 1.8424 11.3 (2,2,0)
49.58 1.8387 11.2 (2,0,2)
57.84 1.5941 14.3 (0,2,2)
57.86 1.5938 7.1 (4,0,0)
65.37 1.4275 4.6 (0,3,1)
65.46 1.4258 9.2 (2,2,2)
65.47 1.4256 9.2 (4,1,1)
65.55 1.4241 4.6 (0,1,3)
72.56 1.3029 13.1 (2,3,1)
72.61 1.3021 6.5 (4,2,0)
72.69 1.3007 6.5 (4,0,2)
72.73 1.3002 13.0 (2,1,3)
86.14 1.1289 2.0 (0,4,0)
86.31 1.1271 7.9 (4,2,2)
86.46 1.1255 2.0 (0,0,4)
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Energy Properties

Formation Energy/atom
-1.23388
eV/atom
Energy/atom
-3.63744
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-3.4084
eV/atom
Volume/atom
21.60
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.705
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
27.218
GPa
GVRH
12.490
GPa
Young's Modulus E
32.499
GPa
Poisson Ratio ν
0.301
Pugh Ratio K/G
2.179
Vickers Hardness Est.
0.521
GPa
Ductility
Brittle
Anisotropy
2.204
Lame λ
18.891
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.667
Element Family
Alkali-AlkEarth
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.2040
Homogeneous Poisson ν
0.3010
Homogeneity
0.3010

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-971
Reference Citation

The crystal structure and related material properties of K2O were obtained from the Materials Project database (MP-ID: mp-971, 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_K2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37500949
_cell_length_b   4.51565428
_cell_length_c   4.50201309
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2O
_chemical_formula_sum   'K4 O2'
_cell_volume   129.60097650
_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
  K  K0  1  0.24990177  0.99754293  0.50000000  1.0
  K  K1  1  0.25009823  0.49754293  -0.00000000  1.0
  K  K2  1  0.74990177  0.50245707  -0.00000000  1.0
  K  K3  1  0.75009823  0.00245707  0.50000000  1.0
  O  O4  1  -0.00000000  0.00000000  -0.00000000  1.0
  O  O5  1  0.50000000  0.50000000  0.50000000  1.0
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