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-2.992 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.285 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. |
Density2.16 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap4.036 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 MauguinR3c [167] |
Hall-R 3 2"c |
Point Group3m |
Crystal Systemtrigonal |
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] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 224.8 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 224.8 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 280.9 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 168.6 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 168.6 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 224.8 |
DyScO3 (mp-31120) | <1 0 0> | <0 0 1> | 224.8 |
ZnSe (mp-1190) | <1 1 0> | <0 0 1> | 224.8 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 280.9 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 224.8 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 168.6 |
GaAs (mp-2534) | <1 1 1> | <0 0 1> | 56.2 |
TePb (mp-19717) | <1 1 1> | <0 0 1> | 224.8 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 0 1> | 224.8 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 224.8 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 168.6 |
ZnSe (mp-1190) | <1 1 1> | <0 0 1> | 56.2 |
BN (mp-984) | <0 0 1> | <0 0 1> | 168.6 |
BN (mp-984) | <1 0 1> | <0 0 1> | 224.8 |
LiNbO3 (mp-3731) | <0 0 1> | <0 0 1> | 168.6 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 168.6 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 280.9 |
Al (mp-134) | <1 1 0> | <0 0 1> | 280.9 |
LiGaO2 (mp-5854) | <1 0 1> | <0 0 1> | 224.8 |
CdTe (mp-406) | <1 1 1> | <0 0 1> | 224.8 |
LiNbO3 (mp-3731) | <1 0 0> | <0 0 1> | 224.8 |
SiC (mp-7631) | <0 0 1> | <0 0 1> | 224.8 |
LiTaO3 (mp-3666) | <0 0 1> | <0 0 1> | 168.6 |
MgO (mp-1265) | <1 1 1> | <0 0 1> | 224.8 |
TiO2 (mp-2657) | <1 0 1> | <0 0 1> | 224.8 |
GdScO3 (mp-5690) | <0 1 0> | <0 0 1> | 224.8 |
Mg (mp-153) | <0 0 1> | <0 0 1> | 168.6 |
InSb (mp-20012) | <1 1 1> | <0 0 1> | 224.8 |
TbScO3 (mp-31119) | <0 1 0> | <0 0 1> | 224.8 |
Ni (mp-23) | <1 1 0> | <0 0 1> | 280.9 |
BaTiO3 (mp-5986) | <1 0 0> | <0 0 1> | 168.6 |
BaTiO3 (mp-5986) | <1 0 1> | <0 0 1> | 280.9 |
SiC (mp-11714) | <0 0 1> | <0 0 1> | 224.8 |
WS2 (mp-224) | <1 0 0> | <0 0 1> | 224.8 |
WS2 (mp-224) | <1 1 0> | <0 0 1> | 224.8 |
WS2 (mp-224) | <0 0 1> | <0 0 1> | 168.6 |
WS2 (mp-224) | <1 1 1> | <0 0 1> | 224.8 |
C (mp-48) | <1 0 1> | <0 0 1> | 337.1 |
NaCl (mp-22862) | <1 1 0> | <0 0 1> | 224.8 |
NaCl (mp-22862) | <1 1 1> | <0 0 1> | 56.2 |
YAlO3 (mp-3792) | <0 1 1> | <0 0 1> | 337.1 |
CdWO4 (mp-19387) | <1 0 0> | <0 0 1> | 224.8 |
SiC (mp-8062) | <1 1 1> | <0 0 1> | 224.8 |
ZnO (mp-2133) | <1 0 1> | <0 0 1> | 337.1 |
SrTiO3 (mp-4651) | <0 0 1> | <0 0 1> | 280.9 |
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 |
---|---|---|---|
VBO4 (mp-771386) | 0.6976 | 0.068 | 3 |
LiCu(PO3)2 (mp-25975) | 0.7173 | 0.047 | 4 |
Na2Zn(SiO3)2 (mp-558580) | 0.7253 | 0.008 | 4 |
SiO2 (mp-561291) | 0.5467 | 0.146 | 2 |
SiO2 (mp-556464) | 0.5396 | 0.240 | 2 |
SiO2 (mp-556588) | 0.5385 | 0.303 | 2 |
CeSe2 (mp-1080865) | 0.4965 | 0.526 | 2 |
CeSe2 (mp-1080858) | 0.4575 | 0.529 | 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-7.6311 eV |
Corrected Energy-291.5756 eV
-291.5756 eV = -274.7207 eV (uncorrected energy) - 16.8550 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)