RuO2
Elasticity Data ELAMP-ID: mp-1008785 · Space group: Fm-3m (#225)
Basic Information
Formula
RuO2
MP-ID
mp-1008785
Elements
2
Sites
3
Density
7.7132
g/cm³
Volume
28.65
ų
Cell a
3.4345
Å
Cell b
3.4345
Å
Cell c
3.4345
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 7)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 31.91 | 2.8043 | 100.0 | (1,1,1) |
| 37.02 | 2.4286 | 23.1 | (1,1,0) |
| 53.35 | 1.7173 | 55.4 | (2,1,1) |
| 63.53 | 1.4645 | 39.7 | (2,2,1) |
| 66.71 | 1.4021 | 6.5 | (2,2,2) |
| 78.82 | 1.2143 | 7.9 | (2,2,0) |
| 87.55 | 1.1143 | 16.5 | (3,2,2) |
Energy Properties
Formation Energy/atom
-1.26960
eV/atom
Energy/atom
-7.65971
eV/atom
Energy above Hull
0.1881
eV/atom
Uncorrected Energy
-7.2017
eV/atom
Volume/atom
9.55
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
0.606
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0006
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
KVRH
284.209
GPa
GVRH
186.658
GPa
Young's Modulus E
459.401
GPa
Poisson Ratio ν
0.231
Pugh Ratio K/G
1.523
Vickers Hardness Est.
23.059
GPa
Ductility
Ductile
Anisotropy
0.085
Lame λ
159.770
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0850
Homogeneous Poisson ν
0.2310
Debye Temperature
837.9
K
Sound Velocity
5,449.2
m/s
Homogeneity
0.2310
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008785
Reference Citation
The crystal structure and related material properties of RuO2 were obtained from the Materials Project database (MP-ID: mp-1008785, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_RuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43453926
_cell_length_b 3.43453926
_cell_length_c 3.43453926
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RuO2
_chemical_formula_sum 'Ru1 O2'
_cell_volume 28.64774597
_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
Ru Ru0 1 0.00000000 0.00000000 0.00000000 1.0
O O1 1 0.75000000 0.75000000 0.75000000 1.0
O O2 1 0.25000000 0.25000000 0.25000000 1.0
