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. |
Density2.24 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.664 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 MauguinIa3d [230] |
Hall-I 4bd 2c 3 |
Point Groupm3m |
Crystal Systemcubic |
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] |
---|---|---|---|
KCl (mp-23193) | <1 0 0> | <1 0 0> | 209.3 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 209.3 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 104.6 |
YVO4 (mp-19133) | <1 0 0> | <1 1 1> | 181.2 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 209.3 |
Ag (mp-124) | <1 1 0> | <1 1 0> | 148.0 |
LiNbO3 (mp-3731) | <1 0 0> | <1 1 0> | 148.0 |
Bi2Se3 (mp-541837) | <0 0 1> | <1 1 1> | 181.2 |
Al (mp-134) | <1 0 0> | <1 0 0> | 209.3 |
LaF3 (mp-905) | <0 0 1> | <1 1 1> | 181.2 |
InP (mp-20351) | <1 1 0> | <1 1 0> | 148.0 |
InP (mp-20351) | <1 1 1> | <1 1 1> | 181.2 |
Ni (mp-23) | <1 0 0> | <1 1 0> | 148.0 |
Ni (mp-23) | <1 1 0> | <1 0 0> | 104.6 |
BaTiO3 (mp-5986) | <0 0 1> | <1 0 0> | 209.3 |
Au (mp-81) | <1 1 0> | <1 1 0> | 148.0 |
Ge(Bi3O5)4 (mp-23352) | <1 0 0> | <1 0 0> | 104.6 |
Ge(Bi3O5)4 (mp-23352) | <1 1 0> | <1 1 0> | 148.0 |
Ge(Bi3O5)4 (mp-23352) | <1 1 1> | <1 1 1> | 181.2 |
Cu (mp-30) | <1 0 0> | <1 0 0> | 104.6 |
Cu (mp-30) | <1 1 0> | <1 1 0> | 148.0 |
Al2O3 (mp-1143) | <0 0 1> | <1 1 1> | 181.2 |
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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Dielectric Tensor εij∞ (electronic contribution) |
||
---|---|---|
2.26 | 0.00 | -0.00 |
0.00 | 2.26 | -0.00 |
-0.00 | -0.00 | 2.26 |
Dielectric Tensor εij (total) |
||
---|---|---|
4.15 | 0.00 | -0.00 |
0.00 | 4.15 | -0.00 |
-0.00 | -0.00 | 4.15 |
Polycrystalline dielectric constant
εpoly∞
2.26
|
Polycrystalline dielectric constant
εpoly
4.15
|
Refractive Index n1.50 |
Potentially ferroelectric?Unknown |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
AlPO4 (mp-7848) | 0.3037 | 0.000 | 3 |
AlPO4 (mp-3955) | 0.3292 | 0.009 | 3 |
AlPO4 (mp-4051) | 0.3094 | 0.002 | 3 |
BePO4 (mp-760410) | 0.1049 | 0.063 | 3 |
AlPO4 (mp-559145) | 0.3288 | 0.013 | 3 |
SiO2 (mp-7029) | 0.1310 | 0.003 | 2 |
WN2 (mp-754629) | 0.1513 | 0.099 | 2 |
SiO2 (mp-6945) | 0.1310 | 0.003 | 2 |
CeSe2 (mp-1080369) | 0.0371 | 0.521 | 2 |
SiO2 (mp-546794) | 0.1183 | 0.000 | 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-7.9046 eV |
Corrected Energy-301.4209 eV
-301.4209 eV = -284.5660 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)