Final Magnetic Moment0.001 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-3.265 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.013 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. |
Density1.95 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.628 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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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
GaN (mp-804) | <1 0 1> | <0 1 0> | 288.2 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 0> | 216.1 |
CdS (mp-672) | <1 0 1> | <0 1 0> | 288.2 |
LiF (mp-1138) | <1 0 0> | <0 1 0> | 288.2 |
Ag (mp-124) | <1 0 0> | <0 1 0> | 288.2 |
BN (mp-984) | <0 0 1> | <0 1 0> | 288.2 |
LiGaO2 (mp-5854) | <1 1 1> | <0 1 0> | 216.1 |
TiO2 (mp-2657) | <1 0 0> | <0 1 0> | 288.2 |
GdScO3 (mp-5690) | <0 0 1> | <0 1 0> | 288.2 |
Mg (mp-153) | <1 0 1> | <0 1 0> | 288.2 |
TbScO3 (mp-31119) | <0 0 1> | <0 1 0> | 288.2 |
BaTiO3 (mp-5986) | <1 0 0> | <0 1 0> | 216.1 |
C (mp-48) | <0 0 1> | <0 1 0> | 288.2 |
CdWO4 (mp-19387) | <0 1 0> | <0 1 0> | 216.1 |
CdWO4 (mp-19387) | <0 1 1> | <0 1 0> | 288.2 |
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) | 0.3964 | 0.003 | 3 |
AlPO4 (mp-557362) | 0.3709 | 0.010 | 3 |
AlPO4 (mp-558056) | 0.3447 | 0.011 | 3 |
AlPO4 (mp-667363) | 0.3890 | 0.014 | 3 |
AlPO4 (mp-1019510) | 0.3499 | 0.010 | 3 |
RbAlSiO4 (mp-6434) | 0.6682 | 0.000 | 4 |
CsAlSiO4 (mp-561457) | 0.6495 | 0.000 | 4 |
CsFeSiO4 (mp-644325) | 0.7229 | 0.000 | 4 |
KBePO4 (mp-7324) | 0.7260 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.5677 | 0.000 | 4 |
SiO2 (mp-600055) | 0.1599 | 0.013 | 2 |
SiO2 (mp-653763) | 0.1511 | 0.017 | 2 |
SiO2 (mp-558115) | 0.1322 | 0.009 | 2 |
CrN2 (mp-1096962) | 0.1446 | 0.370 | 2 |
CrN2 (mp-1096911) | 0.1474 | 0.362 | 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-7.9034 eV |
Corrected Energy-552.5230 eV
-552.5230 eV = -521.6222 eV (uncorrected energy) - 30.9008 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)