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-3.180 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.098 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. |
Density1.62 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.762 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 MauguinI4/mcm [140] |
Hall-I 4 2c |
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 |
---|---|---|---|
AsAuO3 (mp-755240) | 0.6335 | 0.117 | 3 |
AlPO4 (mp-560815) | 0.7436 | 0.030 | 3 |
AlPO4 (mp-667310) | 0.6993 | 0.022 | 3 |
TlP(HO2)2 (mp-690711) | 0.6701 | 0.004 | 4 |
CsSi3HO7 (mp-758180) | 0.6776 | 0.002 | 4 |
RbP(HO2)2 (mp-703528) | 0.6824 | 0.007 | 4 |
TlP(HO2)2 (mp-643701) | 0.6569 | 0.009 | 4 |
KP(HO2)2 (mp-24262) | 0.6817 | 0.007 | 4 |
CrN2 (mp-1016073) | 0.3865 | 0.419 | 2 |
SiO2 (mp-556088) | 0.4295 | 0.101 | 2 |
SiO2 (mp-556132) | 0.4352 | 0.191 | 2 |
CeSe2 (mp-1080631) | 0.1767 | 0.505 | 2 |
CeSe2 (mp-1080639) | 0.4604 | 0.503 | 2 |
RbB2P2HO9 (mp-758281) | 0.6057 | 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-7.8180 eV |
Corrected Energy-397.7349 eV
-397.7349 eV = -375.2616 eV (uncorrected energy) - 22.4733 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)