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 / Atom0.008 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. |
Density1.63 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.429 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 MauguinIm3m [229] |
Hall-I 4 2 3 |
Point Groupm3m |
Crystal Systemcubic |
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.
Download FEFF Input parameters.
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 162.2 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 81.1 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 81.1 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 114.7 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 162.2 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 81.1 |
BaF2 (mp-1029) | <1 1 0> | <1 1 0> | 114.7 |
InAs (mp-20305) | <1 1 0> | <1 0 0> | 162.2 |
MoS2 (mp-1434) | <0 0 1> | <1 1 1> | 140.5 |
Al (mp-134) | <1 0 0> | <1 0 0> | 81.1 |
Mg (mp-153) | <0 0 1> | <1 1 1> | 140.5 |
MgO (mp-1265) | <1 0 0> | <1 0 0> | 162.2 |
MgO (mp-1265) | <1 1 0> | <1 1 0> | 229.4 |
BaTiO3 (mp-5986) | <0 0 1> | <1 0 0> | 81.1 |
Ga2O3 (mp-886) | <1 0 -1> | <1 1 0> | 114.7 |
LaF3 (mp-905) | <0 0 1> | <1 1 1> | 140.5 |
Ga2O3 (mp-886) | <1 1 0> | <1 1 0> | 229.4 |
WS2 (mp-224) | <0 0 1> | <1 1 1> | 140.5 |
Ga2O3 (mp-886) | <1 0 0> | <1 0 0> | 162.2 |
YAlO3 (mp-3792) | <0 1 0> | <1 1 0> | 114.7 |
Y3Fe5O12 (mp-19648) | <1 0 0> | <1 0 0> | 162.2 |
MgF2 (mp-1249) | <1 1 1> | <1 0 0> | 243.3 |
NaCl (mp-22862) | <1 0 0> | <1 0 0> | 162.2 |
YAlO3 (mp-3792) | <1 0 1> | <1 0 0> | 243.3 |
GaTe (mp-542812) | <0 0 1> | <1 1 0> | 229.4 |
Ge (mp-32) | <1 0 0> | <1 0 0> | 162.2 |
Al2O3 (mp-1143) | <0 0 1> | <1 1 1> | 140.5 |
GaTe (mp-542812) | <1 0 -1> | <1 1 0> | 229.4 |
Fe2O3 (mp-24972) | <1 1 0> | <1 0 0> | 243.3 |
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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Dielectric Tensor εij∞ (electronic contribution) |
||
---|---|---|
1.89 | 0.00 | 0.00 |
0.00 | 1.89 | 0.00 |
0.00 | 0.00 | 1.89 |
Dielectric Tensor εij (total) |
||
---|---|---|
3.23 | 0.00 | 0.00 |
0.00 | 3.23 | 0.00 |
0.00 | 0.00 | 3.23 |
Polycrystalline dielectric constant
εpoly∞
1.89
|
Polycrystalline dielectric constant
εpoly
3.23
|
Refractive Index n1.38 |
Potentially ferroelectric?Unknown |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
AlPO4 (mp-5724) | 0.4038 | 0.003 | 3 |
AlPO4 (mp-5859) | 0.3910 | 0.011 | 3 |
AlPO4 (mp-37990) | 0.4194 | 0.014 | 3 |
AlPO4 (mp-557842) | 0.4129 | 0.011 | 3 |
AlPO4 (mp-560151) | 0.3907 | 0.013 | 3 |
CsAlSiO4 (mp-561457) | 0.7419 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.6273 | 0.000 | 4 |
SiO2 (mp-556961) | 0.2270 | 0.005 | 2 |
WN2 (mp-754628) | 0.2362 | 0.088 | 2 |
CrN2 (mp-1014339) | 0.2221 | 0.358 | 2 |
CrN2 (mp-1096914) | 0.2407 | 0.375 | 2 |
CrN2 (mp-1096928) | 0.2504 | 0.365 | 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-7.9078 eV |
Corrected Energy-150.7681 eV
-150.7681 eV = -142.3406 eV (uncorrected energy) - 8.4275 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)