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-3.214 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.064 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. |
Density1.70 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.511 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 MauguinC2/m [12] |
Hall-C 2y |
Point Group2/m |
Crystal Systemmonoclinic |
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] |
---|---|---|---|
BN (mp-984) | <0 0 1> | <0 1 0> | 186.6 |
BN (mp-984) | <1 0 0> | <0 1 0> | 311.0 |
MoS2 (mp-1434) | <1 0 0> | <1 0 0> | 214.6 |
MoS2 (mp-1434) | <1 0 1> | <1 0 0> | 214.6 |
AlN (mp-661) | <0 0 1> | <0 1 0> | 186.6 |
AlN (mp-661) | <1 0 1> | <0 1 0> | 311.0 |
AlN (mp-661) | <1 1 0> | <1 0 0> | 107.3 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 311.0 |
GaN (mp-804) | <1 0 1> | <1 1 0> | 248.1 |
SiO2 (mp-6930) | <1 0 0> | <0 1 0> | 248.8 |
SiO2 (mp-6930) | <1 0 1> | <1 1 0> | 248.1 |
DyScO3 (mp-31120) | <1 1 1> | <1 0 0> | 214.6 |
MgO (mp-1265) | <1 1 0> | <0 1 0> | 311.0 |
Te2W (mp-22693) | <0 0 1> | <0 1 0> | 248.8 |
YVO4 (mp-19133) | <1 0 1> | <1 0 0> | 214.6 |
YVO4 (mp-19133) | <1 1 1> | <0 1 0> | 248.8 |
GdScO3 (mp-5690) | <0 1 0> | <0 1 0> | 311.0 |
GdScO3 (mp-5690) | <1 1 1> | <1 0 0> | 214.6 |
Mg (mp-153) | <1 0 1> | <0 1 0> | 248.8 |
TbScO3 (mp-31119) | <1 1 1> | <1 0 0> | 214.6 |
BaTiO3 (mp-5986) | <1 0 0> | <0 1 0> | 186.6 |
Ga2O3 (mp-886) | <1 0 0> | <0 1 0> | 311.0 |
C (mp-48) | <1 0 0> | <0 1 0> | 311.0 |
ZrO2 (mp-2858) | <0 1 1> | <0 1 0> | 311.0 |
ZrO2 (mp-2858) | <1 1 0> | <0 1 0> | 124.4 |
YAlO3 (mp-3792) | <0 1 1> | <0 1 0> | 248.8 |
SiC (mp-8062) | <1 0 0> | <0 1 0> | 248.8 |
CdWO4 (mp-19387) | <0 1 1> | <0 1 0> | 124.4 |
SrTiO3 (mp-4651) | <1 1 1> | <1 0 0> | 214.6 |
Ni (mp-23) | <1 1 0> | <0 1 0> | 311.0 |
BaTiO3 (mp-5986) | <1 1 1> | <0 1 0> | 311.0 |
NdGaO3 (mp-3196) | <1 1 1> | <1 0 0> | 214.6 |
Ga2O3 (mp-886) | <1 1 1> | <0 1 0> | 248.8 |
C (mp-48) | <1 0 1> | <0 1 0> | 311.0 |
C (mp-48) | <1 1 1> | <0 1 0> | 311.0 |
ZrO2 (mp-2858) | <0 1 0> | <0 1 0> | 311.0 |
ZrO2 (mp-2858) | <1 1 -1> | <0 1 0> | 311.0 |
ZrO2 (mp-2858) | <1 1 1> | <0 1 0> | 311.0 |
CdWO4 (mp-19387) | <1 1 1> | <0 1 0> | 311.0 |
MgF2 (mp-1249) | <1 0 0> | <0 1 0> | 311.0 |
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 |
---|---|---|---|
CoSiO4 (mp-633897) | 0.5811 | 0.356 | 3 |
BeCrO4 (mp-770887) | 0.4628 | 0.011 | 3 |
VBO4 (mp-771386) | 0.5732 | 0.068 | 3 |
AlPO4 (mp-558088) | 0.5031 | 0.025 | 3 |
AlPO4 (mp-667310) | 0.5585 | 0.022 | 3 |
CsSi3HO7 (mp-758180) | 0.4482 | 0.002 | 4 |
CsSi2HO5 (mp-557780) | 0.6065 | 0.005 | 4 |
K2Zn(Si2O5)2 (mp-555568) | 0.6030 | 0.000 | 4 |
KAlSi3O8 (mp-697670) | 0.5636 | 0.000 | 4 |
K2Al2Si3O10 (mp-1019744) | 0.6020 | 0.018 | 4 |
SiO2 (mp-556994) | 0.3485 | 0.083 | 2 |
SiO2 (mp-558569) | 0.2920 | 0.073 | 2 |
CeSe2 (mp-1080267) | 0.2935 | 0.505 | 2 |
CeSe2 (mp-1080636) | 0.2921 | 0.506 | 2 |
CrN2 (mp-1096888) | 0.3847 | 0.435 | 2 |
KBaAl3Si5O16 (mp-677121) | 0.6662 | 0.009 | 5 |
RbB2P2HO9 (mp-758281) | 0.6921 | 0.000 | 5 |
CsZnB(PO4)2 (mp-560244) | 0.7338 | 0.000 | 5 |
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-7.8526 eV |
Corrected Energy-299.5471 eV
-299.5471 eV = -282.6922 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)