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-3.266 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.012 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. |
Density1.68 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.720 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 MauguinP1 [2] |
Hall-P 1 |
Point Group1 |
Crystal Systemtriclinic |
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.
Apply Gaussian smoothing:
Download spectra for every symmetrically equivalent absorption site in the structure.
Download FEFF Input parameters.
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
AlN (mp-661) | <1 0 0> | <0 0 1> | 326.0 |
AlN (mp-661) | <1 1 0> | <0 1 0> | 307.0 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 307.0 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 326.0 |
BaF2 (mp-1029) | <1 1 0> | <0 1 0> | 230.2 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 326.0 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 195.6 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 230.2 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 65.2 |
SiO2 (mp-6930) | <1 0 0> | <0 1 0> | 307.0 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 326.0 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 326.0 |
KCl (mp-23193) | <1 1 0> | <0 1 0> | 230.2 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 260.8 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 260.8 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 260.8 |
YVO4 (mp-19133) | <0 0 1> | <0 1 0> | 153.5 |
Ag (mp-124) | <1 1 1> | <0 1 0> | 153.5 |
BN (mp-984) | <0 0 1> | <0 0 1> | 65.2 |
BN (mp-984) | <1 1 0> | <0 1 -1> | 264.5 |
LiNbO3 (mp-3731) | <1 0 0> | <0 1 1> | 223.7 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 326.0 |
Mg (mp-153) | <1 0 0> | <0 1 0> | 230.2 |
Mg (mp-153) | <1 1 0> | <0 1 0> | 230.2 |
KP(HO2)2 (mp-23959) | <1 0 0> | <0 1 0> | 230.2 |
BN (mp-984) | <1 0 0> | <0 1 0> | 76.7 |
BN (mp-984) | <1 0 1> | <0 0 1> | 260.8 |
BN (mp-984) | <1 1 1> | <0 1 0> | 307.0 |
LiNbO3 (mp-3731) | <0 0 1> | <0 1 0> | 230.2 |
LaF3 (mp-905) | <1 0 0> | <0 0 1> | 260.8 |
PbS (mp-21276) | <1 0 0> | <0 0 1> | 326.0 |
PbS (mp-21276) | <1 1 0> | <0 1 0> | 153.5 |
InP (mp-20351) | <1 0 0> | <0 0 1> | 326.0 |
InP (mp-20351) | <1 1 0> | <0 1 0> | 153.5 |
LiGaO2 (mp-5854) | <0 0 1> | <0 1 0> | 230.2 |
LiGaO2 (mp-5854) | <0 1 0> | <0 1 0> | 230.2 |
LiGaO2 (mp-5854) | <0 1 1> | <0 0 1> | 130.4 |
Ni (mp-23) | <1 1 0> | <0 0 1> | 195.6 |
PbSe (mp-2201) | <1 1 0> | <0 0 1> | 326.0 |
BaTiO3 (mp-5986) | <1 0 0> | <0 0 1> | 326.0 |
BaTiO3 (mp-5986) | <1 1 0> | <0 1 0> | 307.0 |
BaTiO3 (mp-5986) | <1 1 1> | <0 0 1> | 260.8 |
SiC (mp-7631) | <1 0 0> | <0 1 0> | 230.2 |
LiTaO3 (mp-3666) | <0 0 1> | <0 1 0> | 230.2 |
NdGaO3 (mp-3196) | <1 1 1> | <0 1 -1> | 264.5 |
SiC (mp-11714) | <1 0 1> | <0 1 -1> | 264.5 |
MoSe2 (mp-1634) | <0 0 1> | <0 0 1> | 260.8 |
MoSe2 (mp-1634) | <1 0 0> | <0 0 1> | 195.6 |
MgO (mp-1265) | <1 0 0> | <0 0 1> | 326.0 |
MgO (mp-1265) | <1 1 1> | <0 1 0> | 153.5 |
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.
Once you have registered you can also "vote" for full calculation of this material's elastic properties.
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
AlPO4 (mp-5440) | 0.4173 | 0.012 | 3 |
AlPO4 (mp-557604) | 0.4474 | 0.010 | 3 |
AlPO4 (mp-557757) | 0.4087 | 0.015 | 3 |
AlPO4 (mp-683883) | 0.4019 | 0.018 | 3 |
Be(PO3)2 (mp-560521) | 0.3929 | 0.003 | 3 |
CsBeAsO4 (mp-9113) | 0.7275 | 0.000 | 4 |
RbAlSiO4 (mp-6434) | 0.7328 | 0.000 | 4 |
CsSi3HO7 (mp-758180) | 0.6528 | 0.002 | 4 |
CsSi2HO5 (mp-557780) | 0.7110 | 0.005 | 4 |
Cs2MgSi5O12 (mp-1019610) | 0.7072 | 0.000 | 4 |
SiO2 (mp-639733) | 0.1923 | 0.018 | 2 |
SiO2 (mp-639480) | 0.2139 | 0.023 | 2 |
SiO2 (mp-557894) | 0.1920 | 0.016 | 2 |
CeSe2 (mp-1096791) | 0.1748 | 0.523 | 2 |
SiO2 (mp-644923) | 0.2109 | 0.011 | 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-7.9045 eV |
Corrected Energy-401.8893 eV
-401.8893 eV = -379.4161 eV (uncorrected energy) - 22.4733 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)