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-3.260 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.018 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 Gap5.631 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 MauguinPca21 [29] |
HallP 2c 2ac |
Point Groupmm2 |
Crystal Systemorthorhombic |
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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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <1 0 0> | 150.7 |
LaAlO3 (mp-2920) | <1 1 0> | <0 0 1> | 250.6 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 167.1 |
LaAlO3 (mp-2920) | <1 1 1> | <0 0 1> | 250.6 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 167.1 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 83.5 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 83.5 |
TePb (mp-19717) | <1 1 0> | <0 0 1> | 250.6 |
LiNbO3 (mp-3731) | <1 1 0> | <0 0 1> | 250.6 |
TePb (mp-19717) | <1 0 0> | <1 0 1> | 172.3 |
TePb (mp-19717) | <1 1 1> | <1 0 0> | 150.7 |
Ag (mp-124) | <1 0 0> | <1 0 1> | 172.3 |
CdTe (mp-406) | <1 0 0> | <1 0 1> | 172.3 |
CdTe (mp-406) | <1 1 0> | <0 0 1> | 250.6 |
CdTe (mp-406) | <1 1 1> | <1 0 0> | 150.7 |
LiTaO3 (mp-3666) | <1 1 0> | <0 0 1> | 250.6 |
LiTaO3 (mp-3666) | <1 1 1> | <0 0 1> | 250.6 |
TiO2 (mp-2657) | <0 0 1> | <1 0 1> | 172.3 |
TiO2 (mp-2657) | <1 0 0> | <0 0 1> | 83.5 |
TiO2 (mp-2657) | <1 0 1> | <0 0 1> | 250.6 |
Mg (mp-153) | <1 0 0> | <1 0 0> | 150.7 |
InSb (mp-20012) | <1 0 0> | <1 0 1> | 172.3 |
InSb (mp-20012) | <1 1 0> | <0 0 1> | 250.6 |
PbSe (mp-2201) | <1 1 0> | <0 0 1> | 167.1 |
CdSe (mp-2691) | <1 1 0> | <0 0 1> | 167.1 |
YAlO3 (mp-3792) | <1 0 1> | <0 1 0> | 146.0 |
Cu (mp-30) | <1 1 0> | <0 0 1> | 167.1 |
Fe2O3 (mp-24972) | <1 1 1> | <0 0 1> | 250.6 |
InSb (mp-20012) | <1 1 1> | <1 0 0> | 150.7 |
GaSb (mp-1156) | <1 1 0> | <0 0 1> | 167.1 |
Fe2O3 (mp-24972) | <1 1 0> | <0 0 1> | 250.6 |
ZnTe (mp-2176) | <1 1 0> | <0 0 1> | 167.1 |
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) | 0.3697 | 0.012 | 3 |
AlPO4 (mp-557757) | 0.3857 | 0.015 | 3 |
AlPO4 (mp-683883) | 0.3898 | 0.018 | 3 |
Be(PO3)2 (mp-560521) | 0.3805 | 0.003 | 3 |
AlPO4 (mp-1019510) | 0.4036 | 0.010 | 3 |
CsBeAsO4 (mp-9113) | 0.6515 | 0.000 | 4 |
RbAlSiO4 (mp-6434) | 0.6263 | 0.000 | 4 |
CsSi3HO7 (mp-758180) | 0.6091 | 0.002 | 4 |
KBePO4 (mp-7324) | 0.6524 | 0.000 | 4 |
Cs2MgSi5O12 (mp-1019610) | 0.6565 | 0.000 | 4 |
SiO2 (mp-557894) | 0.1400 | 0.016 | 2 |
SiO2 (mp-556469) | 0.1923 | 0.012 | 2 |
SiO2 (mp-600049) | 0.1737 | 0.033 | 2 |
SiO2 (mp-667368) | 0.1984 | 0.012 | 2 |
CeSe2 (mp-1096791) | 0.1583 | 0.523 | 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-7.8987 eV |
Corrected Energy-602.4160 eV
-602.4160 eV = -568.7061 eV (uncorrected energy) - 33.7099 eV (MP Anion Correction)
|
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)