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-3.267 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.011 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. |
Density1.67 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.530 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 MauguinP6/mmm [191] |
Hall-P 6 2 |
Point Group6/mmm |
Crystal Systemhexagonal |
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 |
---|---|---|---|
AlPO4 (mp-5724) | 0.5045 | 0.003 | 3 |
AlPO4 (mp-5859) | 0.4541 | 0.011 | 3 |
AlPO4 (mp-37990) | 0.4129 | 0.014 | 3 |
AlPO4 (mp-557842) | 0.4078 | 0.011 | 3 |
AlPO4 (mp-675254) | 0.3955 | 0.012 | 3 |
CsAlSiO4 (mp-561457) | 0.7071 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.5924 | 0.000 | 4 |
SiO2 (mp-639512) | 0.1487 | 0.010 | 2 |
CrN2 (mp-1014565) | 0.1593 | 0.345 | 2 |
SiO2 (mp-559313) | 0.1353 | 0.009 | 2 |
SiO2 (mp-600029) | 0.1453 | 0.011 | 2 |
CeSe2 (mp-1100266) | 0.1032 | 0.528 | 2 |
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-7.9056 eV |
Corrected Energy-854.1269 eV
-854.1269 eV = -806.3712 eV (uncorrected energy) - 47.7557 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)