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. |
Density1.81 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.484 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 MauguinI41/amd [141] |
HallI 4bw 2bw 1bw |
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%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
CeO2 (mp-20194) | <1 1 1> | <0 0 1> | 255.5 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 85.2 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 85.2 |
LiNbO3 (mp-3731) | <1 1 0> | <0 0 1> | 255.5 |
CdTe (mp-406) | <1 0 0> | <0 0 1> | 85.2 |
LiTaO3 (mp-3666) | <1 1 0> | <0 0 1> | 255.5 |
TiO2 (mp-2657) | <1 0 1> | <0 0 1> | 255.5 |
InSb (mp-20012) | <1 0 0> | <0 0 1> | 85.2 |
Si (mp-149) | <1 1 1> | <0 0 1> | 255.5 |
YAlO3 (mp-3792) | <0 1 1> | <1 0 0> | 191.4 |
YAlO3 (mp-3792) | <1 0 1> | <0 0 1> | 255.5 |
YAlO3 (mp-3792) | <1 1 1> | <1 0 0> | 191.4 |
SiC (mp-8062) | <1 0 0> | <0 0 1> | 170.3 |
Cu (mp-30) | <1 0 0> | <0 0 1> | 170.3 |
Ge (mp-32) | <1 0 0> | <0 0 1> | 170.3 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 255.5 |
LaAlO3 (mp-2920) | <1 1 1> | <0 0 1> | 255.5 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 170.3 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 85.2 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 170.3 |
GaSe (mp-1943) | <0 0 1> | <0 0 1> | 255.5 |
LiTaO3 (mp-3666) | <1 1 1> | <0 0 1> | 255.5 |
TiO2 (mp-2657) | <0 0 1> | <0 0 1> | 85.2 |
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) | 0.3293 | 0.003 | 3 |
AlPO4 (mp-5859) | 0.3359 | 0.011 | 3 |
AlPO4 (mp-557362) | 0.3152 | 0.010 | 3 |
AlPO4 (mp-554273) | 0.3510 | 0.013 | 3 |
AlPO4 (mp-667363) | 0.3466 | 0.014 | 3 |
CsAlSiO4 (mp-561457) | 0.7041 | 0.000 | 4 |
Cs2MgSi5O12 (mp-1019610) | 0.7319 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.5961 | 0.000 | 4 |
SiO2 (mp-556218) | 0.1502 | 0.008 | 2 |
WN2 (mp-754628) | 0.1309 | 0.088 | 2 |
CeSe2 (mp-1080352) | 0.1012 | 0.524 | 2 |
CeSe2 (mp-1087550) | 0.1479 | 0.524 | 2 |
SiO2 (mp-558947) | 0.1561 | 0.010 | 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-7.9077 eV |
Corrected Energy-402.0413 eV
-402.0413 eV = -379.5680 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)