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Rb2O

Elasticity Data ELA

MP-ID: mp-753746 · Space group: R-3m (#166)

Basic Information

Formula
Rb2O
MP-ID
mp-753746
Elements
2
Sites
3
Density
3.2265
g/cm³
Volume
96.21
ų
Cell a
6.4426
Å
Cell b
6.4426
Å
Cell c
6.4426
Å
α Angle
39.22
°
β Angle
39.22
°
γ Angle
39.22
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
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
14.92 5.9390 19.3 (1,1,1)
25.80 3.4528 77.1 (1,0,1)
25.80 3.4528 38.6 (1,1,0)
30.09 2.9695 21.2 (2,2,2)
31.20 2.8667 100.0 (2,1,1)
34.75 2.5817 4.7 (2,2,1)
41.77 2.1625 15.7 (1,-1,0)
41.77 2.1625 31.3 (1,0,-1)
42.96 2.1052 12.5 (3,2,2)
44.59 2.0320 6.3 (2,1,0)
45.84 1.9797 2.8 (3,3,3)
47.50 1.9143 22.6 (3,3,2)
49.75 1.8327 19.1 (2,0,0)
52.34 1.7481 18.0 (3,1,2)
52.34 1.7481 9.0 (3,2,1)
53.05 1.7264 20.9 (2,2,0)
55.43 1.6578 1.3 (3,1,1)
57.26 1.6089 2.2 (3,3,4)
57.26 1.6089 4.4 (4,3,3)
61.47 1.5085 4.1 (3,3,1)
62.47 1.4867 7.6 (4,4,3)
62.56 1.4848 1.9 (4,4,4)
63.73 1.4602 4.4 (4,2,3)
63.73 1.4602 2.2 (4,3,2)
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Energy Properties

Formation Energy/atom
-1.13317
eV/atom
Energy/atom
-3.43618
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-3.2072
eV/atom
Volume/atom
32.07
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
0.453
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0008
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
5.740
GPa
GVRH
3.671
GPa
Young's Modulus E
9.078
GPa
Poisson Ratio ν
0.236
Pugh Ratio K/G
1.564
Vickers Hardness Est.
0.000
GPa
Ductility
Ductile
Anisotropy
10.096
Lame λ
3.293
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 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
10.0960
Homogeneous Poisson ν
0.2360
Homogeneity
0.2360

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-753746
Reference Citation

The crystal structure and related material properties of Rb2O were obtained from the Materials Project database (MP-ID: mp-753746, 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_Rb2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44257030
_cell_length_b   6.44257030
_cell_length_c   6.44257048
_cell_angle_alpha   39.22487600
_cell_angle_beta   39.22487600
_cell_angle_gamma   39.22487956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2O
_chemical_formula_sum   'Rb2 O1'
_cell_volume   96.20782921
_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
  Rb  Rb0  1  0.26180100  0.26180100  0.26180100  1.0
  Rb  Rb1  1  0.73819900  0.73819900  0.73819900  1.0
  O  O2  1  0.00000000  0.00000000  0.00000000  1.0
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