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-3.270 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. |
Density1.88 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.525 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 MauguinImma [74] |
Hall-I 2b 2 |
Point Groupmmm |
Crystal Systemorthorhombic |
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] |
---|---|---|---|
CdS (mp-672) | <0 0 1> | <0 0 1> | 123.5 |
SiO2 (mp-6930) | <0 0 1> | <0 1 0> | 174.7 |
CdS (mp-672) | <1 0 0> | <0 1 0> | 174.7 |
BN (mp-984) | <0 0 1> | <0 1 0> | 174.7 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 123.5 |
LiGaO2 (mp-5854) | <0 1 1> | <0 1 0> | 174.7 |
Mg (mp-153) | <0 0 1> | <0 0 1> | 123.5 |
PbS (mp-21276) | <1 1 0> | <0 0 1> | 247.1 |
InP (mp-20351) | <1 1 1> | <0 0 1> | 123.5 |
PbS (mp-21276) | <1 1 1> | <0 0 1> | 123.5 |
InP (mp-20351) | <1 1 0> | <0 0 1> | 247.1 |
Au (mp-81) | <1 0 0> | <0 1 0> | 174.7 |
WS2 (mp-224) | <0 0 1> | <0 0 1> | 123.5 |
WS2 (mp-224) | <1 1 0> | <0 0 1> | 247.1 |
WS2 (mp-224) | <1 1 1> | <0 0 1> | 247.1 |
ZnO (mp-2133) | <1 0 0> | <0 1 0> | 174.7 |
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-557362) | 0.3264 | 0.010 | 3 |
AlPO4 (mp-554273) | 0.3462 | 0.013 | 3 |
AlPO4 (mp-707977) | 0.3682 | 0.010 | 3 |
AlPO4 (mp-667363) | 0.3572 | 0.014 | 3 |
AlPO4 (mp-561027) | 0.3734 | 0.012 | 3 |
CsBeAsO4 (mp-9113) | 0.6956 | 0.000 | 4 |
RbAlSiO4 (mp-6434) | 0.7461 | 0.000 | 4 |
CsAlSiO4 (mp-561457) | 0.7286 | 0.000 | 4 |
Cs2MgSi5O12 (mp-1019610) | 0.6574 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.6307 | 0.000 | 4 |
SiO2 (mp-559360) | 0.1321 | 0.009 | 2 |
SiO2 (mp-557211) | 0.1538 | 0.011 | 2 |
SiO2 (mp-560941) | 0.1134 | 0.011 | 2 |
CeSe2 (mp-1080374) | 0.1223 | 0.521 | 2 |
CeSe2 (mp-1080365) | 0.1522 | 0.523 | 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-7.9086 eV |
Corrected Energy-603.1280 eV
-603.1280 eV = -569.4181 eV (uncorrected energy) - 33.7099 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)