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RbUO3

Elasticity Data ELA

MP-ID: mp-11775 · Space group: Pm-3m (#221)

Basic Information

Formula
RbUO3
MP-ID
mp-11775
Elements
3
Sites
5
Density
7.6073
g/cm³
Volume
81.09
ų
Cell a
4.3284
Å
Cell b
4.3284
Å
Cell c
4.3284
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic P
Stability
Yes
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
20.52 4.3284 32.4 (0,1,0)
20.52 4.3284 16.2 (1,0,0)
29.18 3.0606 50.0 (0,1,1)
29.18 3.0606 100.0 (1,1,0)
35.94 2.4990 5.5 (1,1,1)
41.74 2.1642 28.5 (0,2,0)
41.74 2.1642 14.2 (2,0,0)
46.94 1.9357 15.7 (1,2,0)
46.94 1.9357 7.9 (2,1,0)
51.73 1.7671 42.4 (1,2,1)
51.73 1.7671 21.2 (2,1,1)
60.50 1.5303 9.3 (0,2,2)
60.50 1.5303 18.6 (2,2,0)
64.60 1.4428 1.6 (0,3,0)
64.60 1.4428 3.1 (1,2,2)
64.60 1.4428 6.2 (2,2,1)
68.56 1.3688 9.5 (0,3,1)
68.56 1.3688 9.5 (1,3,0)
68.56 1.3688 9.5 (3,1,0)
72.42 1.3051 2.3 (1,3,1)
72.42 1.3051 1.1 (3,1,1)
76.19 1.2495 9.5 (2,2,2)
79.91 1.2005 1.8 (0,3,2)
79.91 1.2005 1.8 (2,3,0)
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Energy Properties

Formation Energy/atom
-3.30459
eV/atom
Energy/atom
-8.72775
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.5899
eV/atom
Volume/atom
16.22
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.454
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.012330
μB/ų

Elastic Properties

KVRH
132.148
GPa
GVRH
69.574
GPa
Young's Modulus E
177.561
GPa
Poisson Ratio ν
0.276
Pugh Ratio K/G
1.899
Vickers Hardness Est.
8.295
GPa
Ductility
Brittle
Anisotropy
0.495
Lame λ
85.765
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4950
Homogeneous Poisson ν
0.2760
Homogeneity
0.2760

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-11775
Reference Citation

The crystal structure and related material properties of RbUO3 were obtained from the Materials Project database (MP-ID: mp-11775, 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_RbUO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32836957
_cell_length_b   4.32837261
_cell_length_c   4.32837261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbUO3
_chemical_formula_sum   'Rb1 U1 O3'
_cell_volume   81.09117913
_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  0.50000000  0.50000000  0.50000000  1.0
  U  U1  1  -0.00000000  -0.00000000  0.00000000  1.0
  O  O2  1  0.00000000  0.50000000  -0.00000000  1.0
  O  O3  1  0.00000000  0.00000000  0.50000000  1.0
  O  O4  1  0.50000000  -0.00000000  -0.00000000  1.0
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