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-3.269 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.009 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. |
Density1.77 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.537 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 MauguinC2/m [12] |
Hall-C 2y |
Point Group2/m |
Crystal Systemmonoclinic |
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] |
---|---|---|---|
InAs (mp-20305) | <1 1 0> | <1 0 0> | 107.7 |
LiF (mp-1138) | <1 1 0> | <1 0 0> | 215.4 |
LiGaO2 (mp-5854) | <0 1 1> | <1 0 0> | 215.4 |
TeO2 (mp-2125) | <0 1 0> | <1 0 0> | 215.4 |
Fe3O4 (mp-19306) | <1 0 0> | <1 0 0> | 215.4 |
MgO (mp-1265) | <1 0 0> | <1 0 0> | 107.7 |
TeO2 (mp-2125) | <1 0 0> | <1 0 0> | 215.4 |
BaTiO3 (mp-5986) | <1 1 0> | <1 0 0> | 215.4 |
C (mp-66) | <1 1 0> | <1 0 0> | 107.7 |
SiC (mp-8062) | <1 1 0> | <1 0 0> | 107.7 |
CdSe (mp-2691) | <1 1 0> | <1 0 0> | 107.7 |
TiO2 (mp-390) | <0 0 1> | <1 0 0> | 215.4 |
GaSb (mp-1156) | <1 1 0> | <1 0 0> | 107.7 |
ZnTe (mp-2176) | <1 1 0> | <1 0 0> | 107.7 |
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-5724) | 0.3942 | 0.003 | 3 |
AlPO4 (mp-5859) | 0.3847 | 0.011 | 3 |
AlPO4 (mp-557362) | 0.3768 | 0.010 | 3 |
AlPO4 (mp-558056) | 0.3793 | 0.011 | 3 |
AlPO4 (mp-1019510) | 0.3865 | 0.010 | 3 |
CsAlSiO4 (mp-561457) | 0.7117 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.6104 | 0.000 | 4 |
SiO2 (mp-554682) | 0.1079 | 0.011 | 2 |
SiO2 (mp-558351) | 0.1204 | 0.013 | 2 |
SiO2 (mp-560998) | 0.1275 | 0.011 | 2 |
CeSe2 (mp-1080371) | 0.0752 | 0.522 | 2 |
SiO2 (mp-532105) | 0.1279 | 0.012 | 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-7.9069 eV |
Corrected Energy-703.5061 eV
-703.5061 eV = -664.1779 eV (uncorrected energy) - 39.3282 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)