Final Magnetic Moment0.000 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingNM |
Formation Energy / Atom-1.401 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.067 eVThe energy of decomposition of this material into the set of most stable materials at this chemical composition, in eV/atom. Stability is tested against all potential chemical combinations that result in the material's composition. For example, a Co2O3 structure would be tested for decomposition against other Co2O3 structures, against Co and O2 mixtures, and against CoO and O2 mixtures. |
Density7.52 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToRuO2 |
Band Gap0.000 eVIn general, band gaps computed with common exchange-correlation functionals such as the LDA and GGA are severely underestimated. Typically the disagreement is reported to be ~50% in the literature. Some internal testing by the Materials Project supports these statements; typically, we find that band gaps are underestimated by ~40%. We additionally find that several known insulators are predicted to be metallic. |
Hermann MauguinPa3 [205] |
Hall-P 2ac 2ab 3 |
Point Groupm3 |
Crystal Systemcubic |
Topological Classificationtrivial*
|
SubclassificationLCEBR†
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Calculated powder diffraction pattern; note that peak spacings may be affected due to inaccuracies in calculated cell volume, which is typically overestimated on average by 3% (+/- 6%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
AlN (mp-661) | <1 0 0> | <1 0 0> | 120.0 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 135.8 |
LaAlO3 (mp-2920) | <0 0 1> | <1 1 1> | 291.1 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 312.1 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 271.6 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 192.1 |
AlN (mp-661) | <1 0 1> | <1 0 0> | 264.1 |
AlN (mp-661) | <1 1 1> | <1 1 0> | 237.7 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 120.0 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 120.0 |
SiO2 (mp-6930) | <0 0 1> | <1 0 0> | 168.1 |
DyScO3 (mp-31120) | <0 0 1> | <1 1 0> | 271.6 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 360.1 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 0> | 288.1 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 135.8 |
GaAs (mp-2534) | <1 1 1> | <1 1 1> | 166.3 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 192.1 |
GaN (mp-804) | <0 0 1> | <1 1 0> | 135.8 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 288.1 |
GaN (mp-804) | <1 0 1> | <1 1 1> | 207.9 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 192.1 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 135.8 |
KTaO3 (mp-3614) | <1 1 1> | <1 1 0> | 135.8 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 135.8 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 101.9 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 216.1 |
KCl (mp-23193) | <1 1 1> | <1 1 1> | 291.1 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 101.9 |
CdS (mp-672) | <1 1 1> | <1 0 0> | 216.1 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 216.1 |
Te2W (mp-22693) | <0 1 0> | <1 1 1> | 207.9 |
DyScO3 (mp-31120) | <0 1 1> | <1 1 0> | 271.6 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 120.0 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 312.1 |
ZnSe (mp-1190) | <1 1 1> | <1 1 1> | 166.3 |
YVO4 (mp-19133) | <1 0 0> | <1 1 0> | 237.7 |
Te2Mo (mp-602) | <1 0 1> | <1 0 0> | 216.1 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 216.1 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 67.9 |
CdS (mp-672) | <0 0 1> | <1 0 0> | 288.1 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 144.0 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 360.1 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 67.9 |
LiF (mp-1138) | <1 1 1> | <1 0 0> | 144.0 |
Ag (mp-124) | <1 1 1> | <1 1 1> | 124.7 |
Te2W (mp-22693) | <0 0 1> | <1 0 0> | 216.1 |
Te2W (mp-22693) | <0 1 1> | <1 1 0> | 237.7 |
Te2W (mp-22693) | <1 1 1> | <1 1 0> | 237.7 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 216.1 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 216.1 |
A full elastic tensor has not been calculated for this material. Registered users can view statistical-learning-based predictions of this material's bulk and shear moduli.
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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
LiAsO3 (mp-9657) | 0.5442 | 0.000 | 3 |
ZnGeO3 (mp-8285) | 0.5756 | 0.035 | 3 |
LiAgF3 (mp-759066) | 0.5762 | 0.060 | 3 |
CuAsO3 (mp-776320) | 0.5477 | 0.092 | 3 |
ZnSiO3 (mp-1020623) | 0.5461 | 0.148 | 3 |
Li2SnTeO6 (mp-8673) | 0.6352 | 0.000 | 4 |
LiMnOF2 (mp-765319) | 0.6064 | 0.107 | 4 |
Li2TiTeO6 (mp-756117) | 0.6268 | 0.000 | 4 |
Li4Fe3TeO12 (mp-772725) | 0.6430 | 0.112 | 4 |
Na2GeTeO6 (mp-10340) | 0.6594 | 0.000 | 4 |
SiO2 (mp-9258) | 0.3338 | 0.571 | 2 |
PdF2 (mp-20284) | 0.3781 | 0.039 | 2 |
GeO2 (mp-2633) | 0.3670 | 0.225 | 2 |
IrO2 (mp-1095353) | 0.1400 | 0.096 | 2 |
OsO2 (mp-1095264) | 0.0555 | 0.077 | 2 |
Li4ZrNb(TeO6)2 (mp-756177) | 0.6433 | 0.058 | 5 |
Li4Fe2TeWO12 (mp-768021) | 0.6965 | 0.083 | 5 |
LaMgFeCuO6 (mvc-8936) | 0.7313 | 0.092 | 5 |
Li4Cr2TeWO12 (mp-775566) | 0.6890 | 0.081 | 5 |
Li4Mn2TeWO12 (mp-768044) | 0.6883 | 0.054 | 5 |
Explore more synthesis descriptions for materials of composition RuO2.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ru_pv O |
Final Energy/Atom-7.3230 eV |
Corrected Energy-93.4944 eV
-93.4944 eV = -87.8761 eV (uncorrected energy) - 5.6183 eV (MP Anion Correction)
|
Displaying lattice parameters for primitive cell; note that calculated cell volumes are typically overestimated on average by 3% (+/- 6%). Note the primitive cell may appear less symmetric than the conventional cell representation (see "Structure Type" selector below the 3d structure)