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-3.253 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.025 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. |
Density1.71 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.566 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 MauguinP42/ncm [138] |
HallP 4n 2ab 1n |
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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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 |
---|---|---|---|
AlPO4 (mp-5440) | 0.5160 | 0.012 | 3 |
AlPO4 (mp-557757) | 0.5308 | 0.015 | 3 |
AlPO4 (mp-683883) | 0.5246 | 0.018 | 3 |
Be(PO3)2 (mp-560521) | 0.4922 | 0.003 | 3 |
AlPO4 (mp-667310) | 0.5266 | 0.022 | 3 |
RbAlSiO4 (mp-6434) | 0.7138 | 0.000 | 4 |
CsSi3HO7 (mp-758180) | 0.6222 | 0.002 | 4 |
CsSi2HO5 (mp-557780) | 0.6077 | 0.005 | 4 |
KBePO4 (mp-7324) | 0.7224 | 0.000 | 4 |
SiO2 (mp-600078) | 0.1803 | 0.024 | 2 |
SiO2 (mp-639480) | 0.2418 | 0.023 | 2 |
SiO2 (mp-667377) | 0.2271 | 0.014 | 2 |
SiO2 (mp-667371) | 0.2475 | 0.012 | 2 |
SiO2 (mp-644923) | 0.1802 | 0.011 | 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-7.8916 eV |
Corrected Energy-1504.7636 eV
-1504.7636 eV = -1420.4888 eV (uncorrected energy) - 84.2748 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)