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-3.195 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.083 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. |
Density1.28 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.870 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 MauguinP4/mbm [127] |
Hall-P 4 2ab |
Point Group4/mmm |
Crystal Systemtetragonal |
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%)
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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
BeCrO4 (mp-770887) | 0.7441 | 0.011 | 3 |
AlPO4 (mp-558088) | 0.6608 | 0.025 | 3 |
AlPO4 (mp-667310) | 0.5753 | 0.022 | 3 |
CsSi3HO7 (mp-758180) | 0.5371 | 0.002 | 4 |
CsSi2HO5 (mp-557780) | 0.5867 | 0.005 | 4 |
RbP(HO2)2 (mp-703528) | 0.6841 | 0.007 | 4 |
SiO2 (mp-683970) | 0.3870 | 0.131 | 2 |
SiO2 (mp-557873) | 0.4159 | 0.061 | 2 |
SiO2 (mp-556088) | 0.2087 | 0.101 | 2 |
CeSe2 (mp-1080639) | 0.2970 | 0.503 | 2 |
CrN2 (mp-1096886) | 0.4237 | 0.409 | 2 |
RbB2P2HO9 (mp-758281) | 0.6937 | 0.000 | 5 |
Explore more synthesis descriptions for materials of composition SiO2.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Si O |
Final Energy/Atom-7.8330 eV |
Corrected Energy-796.9153 eV
-796.9153 eV = -751.9687 eV (uncorrected energy) - 44.9466 eV (MP Anion Correction)
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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)